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PubChem AID 1895

Compile data set for download or QSAR
Found 186 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM37692
PNG
((2-aminophenyl)-(4-aminophenyl)amine | 2-N-(4-amin...)
Show SMILES Nc1ccc(Nc2ccccc2N)cc1
Show InChI InChI=1S/C12H13N3/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,13-14H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM48177
PNG
(MLS000106138 | SMR000103108 | cid_3103803)
Show SMILES CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
Show InChI InChI=1S/C27H38N4O/c1-28-12-14-29(15-13-28)19-26(32)30-16-17-31-24-11-10-21(20-6-3-2-4-7-20)18-23(24)22-8-5-9-25(30)27(22)31/h10-11,18,20,25H,2-9,12-17,19H2,1H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51800
PNG
(4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine | 4...)
Show SMILES CNc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H11N3S/c1-13-12-15-11(7-16-12)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,13,15)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/an/an/a 2.23E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM50999
PNG
(3-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-5-phenyl...)
Show SMILES CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C17H16N2O4S/c1-24(20,21)19-15(10-14(18-19)12-5-3-2-4-6-12)13-7-8-16-17(9-13)23-11-22-16/h2-9,15H,10-11H2,1H3
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n/an/an/an/a 970n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM48758
PNG
(1-cetylquinolin-1-ium;iodide | 1-hexadecylquinolin...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H40N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26/h15-16,18-21,23H,2-14,17,22H2,1H3/q+1
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n/an/an/an/a 6.89E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51828
PNG
(5-[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-2-...)
Show SMILES CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CN3CCN(C)CC3)cc12
Show InChI InChI=1S/C27H35N3O4/c1-5-33-27(32)26-20(3)30(21-8-6-19(2)7-9-21)25-11-10-23(16-24(25)26)34-18-22(31)17-29-14-12-28(4)13-15-29/h6-11,16,22,31H,5,12-15,17-18H2,1-4H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51843
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6,8-dimethyl-2-quinolin-1...)
Show SMILES CCN1\C(Sc2cc(C)ccc12)=C\c1ccc2cc(C)cc(C)c2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-13-17(4)12-18(5)24(19)25)15-23-26(7-2)21-11-8-16(3)14-22(21)27-23/h8-15H,6-7H2,1-5H3/q+1
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n/an/an/an/a 1.77E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51849
PNG
(3-amino-5-(4-methoxyphenyl)-1,5-dihydro-6H-pyrazol...)
Show SMILES COc1ccc(cc1)-n1nc2c(N)n[nH]c2cc1=O
Show InChI InChI=1S/C12H11N5O2/c1-19-8-4-2-7(3-5-8)17-10(18)6-9-11(16-17)12(13)15-14-9/h2-6,14H,1H3,(H2,13,15)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51863
PNG
(LY-LW | MLS000562563 | SMR000391059 | cid_16196543)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-24-75-26-28-77-29-27-76-25-15-57-52-59-53(68-20-16-66(17-21-68)50(73)48(32-39-11-13-42(72)14-12-39)70-35-46(62-64-70)43(55)30-37(2)3)61-54(60-52)69-22-18-67(19-23-69)51(74)49(34-41-33-40-9-7-8-10-45(40)58-41)71-36-47(63-65-71)44(56)31-38(4)5;/h1,7-14,33,35-38,43-44,48-49,58,72H,15-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t43-,44-,48-,49-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51866
PNG
(LW-LW | MLS000562577 | SMR000391050 | cid_16196578)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,50-,51-;/m0./s1
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n/an/an/an/a 1.44E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51867
PNG
(MLS000562538 | SI-IW | SMR000391120 | cid_16196580)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C48H71N17O6.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-51-46-53-47(55-48(54-46)63-20-16-61(17-21-63)45(68)43(34(5)8-3)65-30-39(56-59-65)37(49)32-66)62-18-14-60(15-19-62)44(67)41(29-36-28-35-11-9-10-12-38(35)52-36)64-31-40(57-58-64)42(50)33(4)7-2;/h1,9-12,28,30-31,33-34,37,41-43,52,66H,7-8,13-27,29,32,49-50H2,2-5H3,(H,51,53,54,55);1H/t33?,34-,37-,41-,42-,43-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51871
PNG
(MLS000562897 | SMR000391157 | YI-LK | cid_16196598)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C49H77N17O6.ClH/c1-6-25-70-27-29-72-30-28-71-26-16-53-47-54-48(63-21-17-61(18-22-63)45(68)43(10-8-9-15-50)65-33-41(57-59-65)39(51)31-35(3)4)56-49(55-47)64-23-19-62(20-24-64)46(69)44(36(5)7-2)66-34-42(58-60-66)40(52)32-37-11-13-38(67)14-12-37;/h1,11-14,33-36,39-40,43-44,67H,7-10,15-32,50-52H2,2-5H3,(H,53,54,55,56);1H/t36-,39-,40-,43-,44-;/m0./s1
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n/an/an/an/a 1.47E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM46584
PNG
(2-N,4-N-dibenzylquinazoline-2,4-diamine;hydrochlor...)
Show SMILES C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51906
PNG
(2-Chloro-N-(3-dimethylamino-propyl)-N-[4-(4-methox...)
Show SMILES COc1ccc(cc1)-c1csc(n1)N(CCCN(C)C)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C22H24ClN3O2S/c1-25(2)13-6-14-26(21(27)18-7-4-5-8-19(18)23)22-24-20(15-29-22)16-9-11-17(28-3)12-10-16/h4-5,7-12,15H,6,13-14H2,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51916
PNG
(2-(2,7-dipropoxy-9H-fluoren-9-ylidene)hydrazinecar...)
Show SMILES CCCOc1ccc2-c3ccc(OCCC)cc3C(=NN=C(N)N)c2c1
Show InChI InChI=1S/C20H24N4O2/c1-3-9-25-13-5-7-15-16-8-6-14(26-10-4-2)12-18(16)19(17(15)11-13)23-24-20(21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H4,21,22,24)
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n/an/an/an/a 9.98E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/an/an/a 6.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM50318909
PNG
(CHEMBL1083384 | cid_2794 | clofazimine)
Show SMILES CC(C)\N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24-
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n/an/an/an/a 310n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51929
PNG
((2R,3R)-1-N,3-dimethyl-2-N-[(2R)-3-naphthalen-1-yl...)
Show SMILES CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H38F3N3/c1-4-21(2)28(20-33-3)35-19-26(18-24-12-8-11-23-10-5-6-14-27(23)24)34-16-15-22-9-7-13-25(17-22)29(30,31)32/h5-14,17,21,26,28,33-35H,4,15-16,18-20H2,1-3H3/t21-,26-,28+/m1/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM46560
PNG
(2-[[4-(2,4-dichlorobenzyl)oxybenzylidene]amino]gua...)
Show SMILES NC(N)=NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H14Cl2N4O/c16-12-4-3-11(14(17)7-12)9-22-13-5-1-10(2-6-13)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
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n/an/an/an/a 2.66E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51810
PNG
(4-(methoxymethyl)-6-methyl-5-nitro-2-(2-phenylethy...)
Show SMILES COCc1c(C#N)c(NCCc2ccccc2)nc(C)c1[N+]([O-])=O
Show InChI InChI=1S/C17H18N4O3/c1-12-16(21(22)23)15(11-24-2)14(10-18)17(20-12)19-9-8-13-6-4-3-5-7-13/h3-7H,8-9,11H2,1-2H3,(H,19,20)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51819
PNG
(MLS000722074 | N-[3-[[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES Cc1sc(NC(=O)c2ccccc2)c(C(N2CCN(CCO)CC2)c2ccccn2)c1C
Show InChI InChI=1S/C25H30N4O2S/c1-18-19(2)32-25(27-24(31)20-8-4-3-5-9-20)22(18)23(21-10-6-7-11-26-21)29-14-12-28(13-15-29)16-17-30/h3-11,23,30H,12-17H2,1-2H3,(H,27,31)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51826
PNG
(1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl...)
Show SMILES COc1ccc(-c2n[nH]cc2CN2CCCCCCC2)c(OC)c1
Show InChI InChI=1S/C19H27N3O2/c1-23-16-8-9-17(18(12-16)24-2)19-15(13-20-21-19)14-22-10-6-4-3-5-7-11-22/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,20,21)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51838
PNG
((5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCCN1C(=S)S\C(=C\C=C2/Sc3ccccc3N2CC)C1=O
Show InChI InChI=1S/C17H18N2OS3/c1-3-11-19-16(20)14(23-17(19)21)9-10-15-18(4-2)12-7-5-6-8-13(12)22-15/h5-10H,3-4,11H2,1-2H3/b14-9+,15-10-
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n/an/an/an/a 2.67E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51840
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51848
PNG
(5-bromanyl-N-[2-(2-methylindol-1-yl)ethyl]furan-2-...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C16H15BrN2O2/c1-11-10-12-4-2-3-5-13(12)19(11)9-8-18-16(20)14-6-7-15(17)21-14/h2-7,10H,8-9H2,1H3,(H,18,20)
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n/an/an/an/a 2.92E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM48866
PNG
(2,5-bis(azanyl)benzoic acid;hydrochloride | 2,5-di...)
Show SMILES Nc1ccc(N)c(c1)C(O)=O
Show InChI InChI=1S/C7H8N2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,8-9H2,(H,10,11)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51856
PNG
(2-(diethylamino)ethyl 4-[(1-phenyl-3-thiophen-2-yl...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O3S/c1-3-30(4-2)16-17-34-27(33)20-12-14-21(15-13-20)28-26(32)23-19-31(22-9-6-5-7-10-22)29-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,32)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51883
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-[4-(1,3-benzodioxo...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C26H26N4O4S/c1-3-30(4-2)11-12-32-26(31)18-5-8-21(9-6-18)28-15-20(14-27)25-29-22(16-35-25)19-7-10-23-24(13-19)34-17-33-23/h5-10,13,15-16,20H,3-4,11-12,17H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51895
PNG
(4-amyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-m...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(OC)cc3)c(OC)cc(OC)c12
Show InChI InChI=1S/C32H43NO5/c1-6-7-8-11-24-19-29(34)38-32-30(24)27(36-4)20-28(37-5)31(32)26(23-12-14-25(35-3)15-13-23)16-18-33-17-9-10-22(2)21-33/h12-15,19-20,22,26H,6-11,16-18,21H2,1-5H3
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n/an/an/an/a 1.20E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51896
PNG
(4-amyl-8-[1-[4-(dimethylamino)phenyl]-3-pyrrolidin...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3ccc(cc3)N(C)C)c(OC)cc(OC)c12
Show InChI InChI=1S/C31H42N2O4/c1-6-7-8-11-23-20-28(34)37-31-29(23)26(35-4)21-27(36-5)30(31)25(16-19-33-17-9-10-18-33)22-12-14-24(15-13-22)32(2)3/h12-15,20-21,25H,6-11,16-19H2,1-5H3
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n/an/an/an/a 2.64E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51919
PNG
(1-(2-methylphenoxy)-3-[[4-[[3-(2-methylphenoxy)-2-...)
Show SMILES Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C
Show InChI InChI=1S/C26H38N2O4/c1-19-7-3-5-9-25(19)31-17-23(29)15-27-21-11-13-22(14-12-21)28-16-24(30)18-32-26-10-6-4-8-20(26)2/h3-10,21-24,27-30H,11-18H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51938
PNG
(4-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)pro...)
Show SMILES CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C28H31FN4O3S2/c1-4-32(20-21-9-6-5-7-10-21)38(35,36)24-14-11-22(12-15-24)27(34)33(18-8-17-31(2)3)28-30-25-16-13-23(29)19-26(25)37-28/h5-7,9-16,19H,4,8,17-18,20H2,1-3H3
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n/an/an/an/a 7.18E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51816
PNG
(MLS000696829 | N-(4-methyl-2-pyridinyl)-4-thiophen...)
Show SMILES Cc1ccnc(NC(=O)C2(CCOCC2)c2cccs2)c1
Show InChI InChI=1S/C16H18N2O2S/c1-12-4-7-17-14(11-12)18-15(19)16(5-8-20-9-6-16)13-3-2-10-21-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,17,18,19)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM46293
PNG
(2-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl...)
Show SMILES CCc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1
Show InChI InChI=1S/C19H20N4S/c1-2-14-8-10-15(11-9-14)18-16(13-24-19(20)21)12-23(22-18)17-6-4-3-5-7-17/h3-12H,2,13H2,1H3,(H3,20,21)
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n/an/an/an/a 5.27E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM34829
PNG
(3-hydroxy-N'-{3-methoxy-4-[2-(1-piperidinyl)et...)
Show SMILES COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C26H29N3O4/c1-32-25-15-19(9-10-24(25)33-14-13-29-11-5-2-6-12-29)18-27-28-26(31)22-16-20-7-3-4-8-21(20)17-23(22)30/h3-4,7-10,15-18,30H,2,5-6,11-14H2,1H3,(H,28,31)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51839
PNG
(5,6-dimethyl-4-(propylthio)thieno[2,3-d]pyrimidine...)
Show SMILES CCCSc1ncnc2sc(C)c(C)c12
Show InChI InChI=1S/C11H14N2S2/c1-4-5-14-10-9-7(2)8(3)15-11(9)13-6-12-10/h6H,4-5H2,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM34936
PNG
((6-amino-1H-benzimidazol-5-yl)amine | 1H-benzimida...)
Show SMILES Nc1cc2nc[nH]c2cc1N
Show InChI InChI=1S/C7H8N4/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,8-9H2,(H,10,11)
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n/an/an/an/a 5.89E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51865
PNG
(3-(2-furanyl)-5-[(E)-2-(5-nitro-2-furanyl)ethenyl]...)
Show SMILES [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1
Show InChI InChI=1S/C19H15N3O4/c23-22(24)19-11-10-16(26-19)9-8-14-13-17(18-7-4-12-25-18)21(20-14)15-5-2-1-3-6-15/h1-12,17H,13H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM38802
PNG
(MLS000038842 | SMR000040243 | cid_659226)
Show SMILES CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C21H16BrNO6/c1-3-27-20(25)15(21(26)28-4-2)12-9-13(22)17-16-14(12)18(24)10-7-5-6-8-11(10)19(16)29-23-17/h5-9,15H,3-4H2,1-2H3
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n/an/an/an/a 2.96E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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n/an/an/an/a 2.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51882
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51891
PNG
(2,5-dimethyl-4-[(phenylmethyl)-propan-2-ylsulfamoy...)
Show SMILES COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C18H23NO5S/c1-12(2)19(11-15-9-7-6-8-10-15)25(21,22)17-14(4)24-13(3)16(17)18(20)23-5/h6-10,12H,11H2,1-5H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51901
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-15-20-32-28(31)21-30-25-18-13-12-17-24(25)29(3)27(30)22-33-26-19-14-11-16-23(26)2/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/an/an/a 1.02E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51914
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(2-oxid...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H26N4O4S/c1-3-32(4-2)13-14-35-27(33)19-9-11-22(12-10-19)30-17-21(16-29)26-31-24(18-37-26)23-15-20-7-5-6-8-25(20)36-28(23)34/h5-12,15,17-18,21H,3-4,13-14H2,1-2H3
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n/an/an/an/a 4.90E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51925
PNG
(MLS000948482 | N-(4-ethylphenyl)-4-phenyl-5-(4-phe...)
Show SMILES CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H26N3OS/c1-2-22-13-17-25(18-14-22)30-29-31-32(26-11-7-4-8-12-26)28(34-29)24-15-19-27(20-16-24)33-21-23-9-5-3-6-10-23/h3-20H,2,21H2,1H3,(H,30,31)/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51931
PNG
(MLS001105226 | SMR000658721 | [(1S,4S)-3-azabicycl...)
Show SMILES Fc1cccc(F)c1OCc1cc(no1)C(=O)N1C[C@H]2CC[C@H]1C2
Show InChI InChI=1S/C17H16F2N2O3/c18-13-2-1-3-14(19)16(13)23-9-12-7-15(20-24-12)17(22)21-8-10-4-5-11(21)6-10/h1-3,7,10-11H,4-6,8-9H2/t10-,11-/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51939
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3
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n/an/an/an/a 1.21E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM40571
PNG
(3-amino-6-methyl-7-thiazolo[3,2-b][1,2,4]triazinon...)
Show SMILES Cc1nn2c(N)csc2nc1=O
Show InChI InChI=1S/C6H6N4OS/c1-3-5(11)8-6-10(9-3)4(7)2-12-6/h2H,7H2,1H3
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n/an/an/an/a 3.40E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51792
PNG
(MLS000072836 | N'-cyclopentyl-N'-[2-(cyclopentylam...)
Show SMILES O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
Show InChI InChI=1S/C22H32N4O3/c27-20(25-19-12-5-6-15-23-19)13-7-14-22(29)26(18-10-3-4-11-18)16-21(28)24-17-8-1-2-9-17/h5-6,12,15,17-18H,1-4,7-11,13-14,16H2,(H,24,28)(H,23,25,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM34178
PNG
(6-(2,6-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-y...)
Show SMILES COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51802
PNG
(4-({1-[3-(1H-imidazol-1-yl)propyl]-5-oxo-2-thioxo-...)
Show SMILES O=C1N(CCCn2ccnc2)C(=S)N\C1=C/c1ccc(cc1)C#N
Show InChI InChI=1S/C17H15N5OS/c18-11-14-4-2-13(3-5-14)10-15-16(23)22(17(24)20-15)8-1-7-21-9-6-19-12-21/h2-6,9-10,12H,1,7-8H2,(H,20,24)/b15-10-
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51804
PNG
((3Z)-5-(4-ethoxyphenyl)-3-(3-pyridinylmethylidene)...)
Show SMILES CCOc1ccc(cc1)C1=C\C(=C\c2cccnc2)C(=O)O1
Show InChI InChI=1S/C18H15NO3/c1-2-21-16-7-5-14(6-8-16)17-11-15(18(20)22-17)10-13-4-3-9-19-12-13/h3-12H,2H2,1H3/b15-10-
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51809
PNG
(MLS000591863 | N-[[2,7-bis[2-(diethylamino)ethoxy]...)
Show SMILES CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3C(=NNC(=O)c3ccccn3)c2c1
Show InChI InChI=1S/C31H39N5O3/c1-5-35(6-2)17-19-38-23-12-14-25-26-15-13-24(39-20-18-36(7-3)8-4)22-28(26)30(27(25)21-23)33-34-31(37)29-11-9-10-16-32-29/h9-16,21-22H,5-8,17-20H2,1-4H3,(H,34,37)
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n/an/an/an/a 5.52E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51812
PNG
(MLS000559685 | N-[4-(3-Carbazol-9-yl-2-hydroxy-pro...)
Show SMILES CC(=O)Nc1ccc(OCC(O)Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C23H22N2O3/c1-16(26)24-17-10-12-19(13-11-17)28-15-18(27)14-25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25/h2-13,18,27H,14-15H2,1H3,(H,24,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51813
PNG
(3-(4-Methoxy-3-nitro-benzylsulfanyl)-5-methyl-4H-[...)
Show SMILES COc1ccc(CSc2nnc(C)[nH]2)cc1[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3S/c1-7-12-11(14-13-7)19-6-8-3-4-10(18-2)9(5-8)15(16)17/h3-5H,6H2,1-2H3,(H,12,13,14)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM42257
PNG
(3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27?,33-,34+,35+,41+/m1/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51824
PNG
((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Show SMILES COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1
Show InChI InChI=1S/C34H40N10O5/c1-48-33(46)30(9-5-6-10-35)43-20-28(38-40-43)22-15-23(17-24(16-22)32(45)42-13-11-36-12-14-42)29-21-44(41-39-29)31(34(47)49-2)18-25-19-37-27-8-4-3-7-26(25)27/h3-4,7-8,15-17,19-21,30-31,36-37H,5-6,9-14,18,35H2,1-2H3/t30-,31-/m0/s1
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n/an/an/an/a 4.44E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51835
PNG
(3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiaz...)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(\CC)=C\c1sc2ccc(OC)cc2[n+]1CCCS([O-])(=O)=O
Show InChI InChI=1S/C26H30N2O5S3/c1-5-18(14-25-27(6-2)21-16-19(32-3)8-10-23(21)34-25)15-26-28(12-7-13-36(29,30)31)22-17-20(33-4)9-11-24(22)35-26/h8-11,14-17H,5-7,12-13H2,1-4H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51836
PNG
((5E)-3-methyl-5-[(5-phenyl-2-furanyl)methylidene]-...)
Show SMILES CN1C(=S)S\C(=C\c2ccc(o2)-c2ccccc2)C1=O
Show InChI InChI=1S/C15H11NO2S2/c1-16-14(17)13(20-15(16)19)9-11-7-8-12(18-11)10-5-3-2-4-6-10/h2-9H,1H3/b13-9+
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51841
PNG
(MLS000709291 | N-[1-(4-hexoxy-3-nitro-phenyl)ethyl...)
Show SMILES CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1
Show InChI InChI=1S/C17H24N5O3/c1-3-4-5-6-11-25-16-8-7-14(12-15(16)22(23)24)13(2)20-21-17-18-9-10-19-17/h7-8,12H,3-6,9-11H2,1-2H3,(H-,18,19,21)/q-1/p+1
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n/an/an/an/a 1.44E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51842
PNG
(2-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]acetamid...)
Show SMILES NC(=O)CSc1nnc(Cc2ccc3OCOc3c2)o1
Show InChI InChI=1S/C12H11N3O4S/c13-10(16)5-20-12-15-14-11(19-12)4-7-1-2-8-9(3-7)18-6-17-8/h1-3H,4-6H2,(H2,13,16)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM47635
PNG
((2Z)-2-[(1,6-dimethyl-2-quinolin-1-iumyl)methylide...)
Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1C
Show InChI InChI=1S/C23H21N2S2/c1-4-25-22(27-21-10-9-20-18(23(21)25)11-12-26-20)14-17-7-6-16-13-15(2)5-8-19(16)24(17)3/h5-14H,4H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51847
PNG
(1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1-piperazin...)
Show SMILES CN1CCN(CC(O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C24H36N2O2/c1-25-6-8-26(9-7-25)16-22(27)17-28-23-4-2-21(3-5-23)24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-20,22,27H,6-17H2,1H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51851
PNG
((5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(1R)-5-[me...)
Show SMILES COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H48Cl2N4O4/c1-45(28-32-14-19-36(51-3)20-15-32)23-8-7-11-34(27-44-26-31-12-17-35(50-2)18-13-31)47-29-39(33-9-5-4-6-10-33)46(40(48)41(47)49)24-22-30-16-21-37(42)38(43)25-30/h4-6,9-10,12-21,25,34,39,44H,7-8,11,22-24,26-29H2,1-3H3/t34-,39-/m1/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51852
PNG
(MLS000697856 | N-[3-[(3S,6S)-3-cyclohexyl-7-[2-(3,...)
Show SMILES CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C32H42Cl2N4O/c1-2-27(24-10-5-3-6-11-24)31(39)35-18-9-14-26-22-38-30(25-12-7-4-8-13-25)21-36-32(38)37(26)19-17-23-15-16-28(33)29(34)20-23/h3,5-6,10-11,15-16,20,25-27,30H,2,4,7-9,12-14,17-19,21-22H2,1H3,(H,35,39)/t26-,27?,30+/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51862
PNG
(MLS000562590 | SE-IW | SMR000391109 | cid_16196536)
Show SMILES Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO
Show InChI InChI=1S/C47H67N17O8.ClH/c1-4-21-70-23-25-72-26-24-71-22-12-50-45-52-46(61-17-13-59(14-18-61)43(68)39(10-11-41(66)67)63-29-37(55-57-63)35(48)31-65)54-47(53-45)62-19-15-60(16-20-62)44(69)40(28-34-27-33-8-6-7-9-36(33)51-34)64-30-38(56-58-64)42(49)32(3)5-2;/h1,6-9,27,29-30,32,35,39-40,42,51,65H,5,10-26,28,31,48-49H2,2-3H3,(H,66,67)(H,50,52,53,54);1H/t32-,35?,39+,40+,42?;/m1./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51879
PNG
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-5-me...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1
Show InChI InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)
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n/an/an/an/a 5.37E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51884
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3-meth...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C26H28N4O3S/c1-4-30(5-2)13-14-33-26(31)19-9-11-22(12-10-19)28-17-21(16-27)25-29-24(18-34-25)20-7-6-8-23(15-20)32-3/h6-12,15,17-18,21H,4-5,13-14H2,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51890
PNG
(MLS000911514 | N-[4-[(4-ethyl-1-piperazinyl)methyl...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O4/c1-3-39-10-12-40(13-11-39)19-20-8-9-22(17-27(20)32(33,34)35)37-30(42)21-14-23(16-24(15-21)44-2)38-31(43)29(41)26-18-36-28-7-5-4-6-25(26)28/h4-9,14-18,36H,3,10-13,19H2,1-2H3,(H,37,42)(H,38,43)
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n/an/an/an/a 500n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51908
PNG
((6-bromo-2-methyl-4-quinolyl)-(p-anisylideneamino)...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C18H16BrN3O/c1-12-9-18(16-10-14(19)5-8-17(16)21-12)22-20-11-13-3-6-15(23-2)7-4-13/h3-10H,11H2,1-2H3
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n/an/an/an/a 8.32E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51918
PNG
(2-[[2-[2-(dimethylamino)ethylamino]-1-oxoethyl]ami...)
Show SMILES CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H29N3O3S/c1-4-31-25(30)23-21(17-32-24(23)27-22(29)16-26-14-15-28(2)3)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,17,26H,4,14-16H2,1-3H3,(H,27,29)
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n/an/an/an/a 1.09E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51920
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-(1-methoxypropan-2-yl)...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NC(C)COC)n1
Show InChI InChI=1S/C17H21N3OS/c1-4-12-6-5-7-13-14(8-18-16(12)13)15-10-22-17(20-15)19-11(2)9-21-3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,20)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51922
PNG
(2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6,7-dimet...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(C)ccc1C
Show InChI InChI=1S/C22H27N5O2/c1-14-5-6-15(2)18(11-14)26-7-9-27(10-8-26)22-24-17-13-20(29-4)19(28-3)12-16(17)21(23)25-22/h5-6,11-13H,7-10H2,1-4H3,(H2,23,24,25)
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n/an/an/an/a 5.31E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51923
PNG
(2-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benz...)
Show SMILES Nc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccc(N)cc2[nH]1
Show InChI InChI=1S/C20H16N6/c21-13-5-7-15-17(9-13)25-19(23-15)11-1-2-12(4-3-11)20-24-16-8-6-14(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51933
PNG
(MLS000911609 | N-[4-[(4-ethyl-1-piperazinyl)methyl...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O3/c1-3-39-12-14-40(15-13-39)19-22-10-11-23(17-26(22)32(33,34)35)37-30(42)21-9-8-20(2)28(16-21)38-31(43)29(41)25-18-36-27-7-5-4-6-24(25)27/h4-11,16-18,36H,3,12-15,19H2,1-2H3,(H,37,42)(H,38,43)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM47717
PNG
(5-Ethylamino-anthra[1,9-cd]isoxazol-6-one | MLS000...)
Show SMILES CCNc1ccc2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C16H12N2O2/c1-2-17-11-7-8-12-14-13(11)15(19)9-5-3-4-6-10(9)16(14)20-18-12/h3-8,17H,2H2,1H3
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n/an/an/an/a 4.43E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51797
PNG
(MLS000527538 | N-(1,3-Dioxo-2-m-tolyl-2,3-dihydro-...)
Show SMILES CC(=O)Nc1cccc2C(=O)N(C(=O)c12)c1cccc(C)c1
Show InChI InChI=1S/C17H14N2O3/c1-10-5-3-6-12(9-10)19-16(21)13-7-4-8-14(18-11(2)20)15(13)17(19)22/h3-9H,1-2H3,(H,18,20)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM43211
PNG
(6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM39775
PNG
((5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl...)
Show SMILES CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H18N2OS2/c1-21(2)16-13-11-15(12-14-16)7-6-10-18-19(23)22(20(24)25-18)17-8-4-3-5-9-17/h3-14H,1-2H3/b7-6+,18-10+
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n/an/an/an/a 910n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51807
PNG
(MLS000582864 | N-[[4-[(2-fluorophenyl)methoxy]-3-m...)
Show SMILES COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F
Show InChI InChI=1S/C25H25FN2O2/c1-29-25-14-18(10-11-24(25)30-17-20-6-2-4-8-22(20)26)15-27-13-12-19-16-28-23-9-5-3-7-21(19)23/h2-11,14,16,27-28H,12-13,15,17H2,1H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM32299
PNG
(2-[(2Z)-2-[(2E)-2-[[3-(2-hydroxyethyl)-5-methoxy-1...)
Show SMILES CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
Show InChI InChI=1S/C25H29N2O4S2/c1-4-17(13-24-26(9-11-28)20-15-18(30-2)5-7-22(20)32-24)14-25-27(10-12-29)21-16-19(31-3)6-8-23(21)33-25/h5-8,13-16,28-29H,4,9-12H2,1-3H3/q+1
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n/an/an/an/a 510n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51815
PNG
(1-{[4-(4-Fluoro-phenyl)-thiazol-2-ylcarbamoyl]-met...)
Show SMILES Cc1ccc(cc1)-c1c[n+](CC(=O)Nc2nc(cs2)-c2ccc(F)cc2)c2CCCn12
Show InChI InChI=1S/C24H21FN4OS/c1-16-4-6-18(7-5-16)21-13-28(23-3-2-12-29(21)23)14-22(30)27-24-26-20(15-31-24)17-8-10-19(25)11-9-17/h4-11,13,15H,2-3,12,14H2,1H3/p+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51823
PNG
(MLS000665472 | N'-mesityl-N-methyl-oxamide | N-mes...)
Show SMILES CNC(=O)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C12H16N2O2/c1-7-5-8(2)10(9(3)6-7)14-12(16)11(15)13-4/h5-6H,1-4H3,(H,13,15)(H,14,16)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51830
PNG
(MLS000682545 | N-[2-(4-ethyl-1-piperazinyl)ethyl]-...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C32H36N4O2S/c1-3-34-17-19-35(20-18-34)16-15-33-31(37)27-13-11-25(12-14-27)22-30-32(38)36(23-26-8-6-7-24(2)21-26)28-9-4-5-10-29(28)39-30/h4-14,21-22H,3,15-20,23H2,1-2H3,(H,33,37)/b30-22+
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n/an/an/an/a 1.06E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51834
PNG
(1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-(4-...)
Show SMILES COc1ccc(NC(=O)N(CC2CCCO2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C24H27N3O4/c1-16-5-10-22-17(12-16)13-18(23(28)26-22)14-27(15-21-4-3-11-31-21)24(29)25-19-6-8-20(30-2)9-7-19/h5-10,12-13,21H,3-4,11,14-15H2,1-2H3,(H,25,29)(H,26,28)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM47630
PNG
((5Z)-3-butyl-5-[(2E,4E)-5-phenylazanylpenta-2,4-di...)
Show SMILES CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S
Show InChI InChI=1S/C18H20N2OS2/c1-2-3-14-20-17(21)16(23-18(20)22)12-8-5-9-13-19-15-10-6-4-7-11-15/h4-13,21H,2-3,14H2,1H3
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n/an/an/an/a 1.71E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51853
PNG
(1-[3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoqu...)
Show SMILES COc1ccc(cc1CN1CCc2cc(OC)c(OC)cc2C1C)C1NCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C31H35N3O3/c1-19-25-17-29(37-4)28(36-3)16-20(25)12-14-34(19)18-22-15-21(9-10-27(22)35-2)30-31-24(11-13-32-30)23-7-5-6-8-26(23)33-31/h5-10,15-17,19,30,32-33H,11-14,18H2,1-4H3
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n/an/an/an/a 1.32E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51854
PNG
(MLS001004803 | SMR000348323 | [amino-[[3-(4-bromop...)
Show SMILES NC(=[NH2+])SCc1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C17H15BrN4S/c18-14-8-6-12(7-9-14)16-13(11-23-17(19)20)10-22(21-16)15-4-2-1-3-5-15/h1-10H,11H2,(H3,19,20)/p+1
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n/an/an/an/a 8.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51859
PNG
(IW-LW | MLS000562576 | SMR000391064 | cid_16196504)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-25-77-27-29-79-30-28-78-26-16-59-54-62-55(71-21-17-69(18-22-71)52(75)49(34-42-32-40-12-8-10-14-45(40)60-42)73-36-47(65-67-73)44(57)31-38(3)4)64-56(63-54)72-23-19-70(20-24-72)53(76)50(35-43-33-41-13-9-11-15-46(41)61-43)74-37-48(66-68-74)51(58)39(5)7-2;/h1,8-15,32-33,36-39,44,49-51,60-61H,7,16-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t39?,44-,49-,50-,51-;/m0./s1
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n/an/an/an/a 3.62E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51868
PNG
(MLS000562841 | SMR000391160 | YI-IW | cid_16196582)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-26-75-28-30-77-31-29-76-27-17-57-52-59-53(68-22-18-66(19-23-68)50(73)47(34-41-33-40-11-9-10-12-44(40)58-41)70-36-46(63-64-70)48(56)37(4)7-2)61-54(60-52)69-24-20-67(21-25-69)51(74)49(38(5)8-3)71-35-45(62-65-71)43(55)32-39-13-15-42(72)16-14-39;/h1,9-16,33,35-38,43,47-49,58,72H,7-8,17-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t37?,38-,43-,47-,48-,49-;/m0./s1
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n/an/an/an/a 1.01E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51876
PNG
(2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3CCCc23)n1
Show InChI InChI=1S/C25H24N4OS/c1-17-5-9-19(10-6-17)21-16-31-25(26-21)27-23(30)15-28-14-22(29-13-3-4-24(28)29)20-11-7-18(2)8-12-20/h5-12,14,16H,3-4,13,15H2,1-2H3/p+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51877
PNG
(3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]...)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51892
PNG
(5-amino-N-[3-[[4-[(4-ethyl-1-piperazinyl)methyl]-3...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(c4N)-c4ccccc4)cc(OC)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H34F3N7O3/c1-3-40-11-13-41(14-12-40)20-21-9-10-23(18-28(21)32(33,34)35)38-30(43)22-15-24(17-26(16-22)45-2)39-31(44)27-19-37-42(29(27)36)25-7-5-4-6-8-25/h4-10,15-19H,3,11-14,20,36H2,1-2H3,(H,38,43)(H,39,44)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51894
PNG
(4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-piperidino-pr...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
Show InChI InChI=1S/C31H39NO6/c1-4-5-7-10-22-18-28(33)38-31-29(22)26(34-2)19-27(35-3)30(31)23(13-16-32-14-8-6-9-15-32)21-11-12-24-25(17-21)37-20-36-24/h11-12,17-19,23H,4-10,13-16,20H2,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51905
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-p-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-20-32-28(31)21-30-26-15-12-11-14-25(26)29(3)27(30)22-33-24-18-16-23(2)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 4.57E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51912
PNG
(MLS001165417 | SMR000540006 | [(3Z)-3-(2-chloranyl...)
Show SMILES CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C28H39ClNS/c1-4-5-6-7-8-9-10-13-20-30(2,3)21-14-16-24-25-15-11-12-17-27(25)31-28-19-18-23(29)22-26(24)28/h11-12,15-19,22H,4-10,13-14,20-21H2,1-3H3/q+1/b24-16-
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51926
PNG
(5-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(4-ethylphen...)
Show SMILES CCc1ccc(Nc2n[n+](c(s2)-c2cc(OC)c(OC)cc2Br)-c2ccccc2)cc1
Show InChI InChI=1S/C24H23BrN3O2S/c1-4-16-10-12-17(13-11-16)26-24-27-28(18-8-6-5-7-9-18)23(31-24)19-14-21(29-2)22(30-3)15-20(19)25/h5-15H,4H2,1-3H3,(H,26,27)/q+1
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n/an/an/an/a 8.30E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51934
PNG
(4-methyl-3-[(E)-2-[5-[(2-methyl-6-piperazin-1-yl-p...)
Show SMILES Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1
Show InChI InChI=1S/C30H29F3N8O/c1-19-6-7-22(29(42)39-24-5-3-4-23(15-24)30(31,32)33)14-21(19)8-9-25-17-36-27(18-35-25)40-26-16-28(38-20(2)37-26)41-12-10-34-11-13-41/h3-9,14-18,34H,10-13H2,1-2H3,(H,39,42)(H,36,37,38,40)/b9-8+
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51936
PNG
(3,5-bis(oxidanyl)-N-[1-[4-(2-phenylethanoylamino)p...)
Show SMILES CC(=NNC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C23H21N3O4/c1-15(25-26-23(30)18-12-20(27)14-21(28)13-18)17-7-9-19(10-8-17)24-22(29)11-16-5-3-2-4-6-16/h2-10,12-14,27-28H,11H2,1H3,(H,24,29)(H,26,30)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM44448
PNG
(MLS000091077 | N-[2-(2-methyl-1-indolyl)ethyl]benz...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O/c1-14-13-16-9-5-6-10-17(16)20(14)12-11-19-18(21)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,21)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51795
PNG
(1-(5-chloranylthiophen-2-yl)sulfonyl-4-(2-methoxyp...)
Show SMILES COc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C15H17ClN2O3S2/c1-21-13-5-3-2-4-12(13)17-8-10-18(11-9-17)23(19,20)15-7-6-14(16)22-15/h2-7H,8-11H2,1H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM47934
PNG
(MLS000101692 | N-[2-(2-methyl-1-indolyl)ethyl]-2-t...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)c1cccs1
Show InChI InChI=1S/C16H16N2OS/c1-12-11-13-5-2-3-6-14(13)18(12)9-8-17-16(19)15-7-4-10-20-15/h2-7,10-11H,8-9H2,1H3,(H,17,19)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51796
PNG
((5Z)-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2...)
Show SMILES CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O
Show InChI InChI=1S/C23H20N2OS3/c1-3-25-19(15-14-18-22(26)24(2)23(27)28-18)29-21(17-12-8-5-9-13-17)20(25)16-10-6-4-7-11-16/h4-15H,3H2,1-2H3/b18-14-,19-15-
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n/an/an/an/a 3.35E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM43248
PNG
((5Z)-5-[(2E)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2...)
Show SMILES CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C/C=C1\SC(=S)N(C)C1=O
Show InChI InChI=1S/C23H20N2OS3/c1-3-25-19(15-14-18-22(26)24(2)23(27)28-18)29-21(17-12-8-5-9-13-17)20(25)16-10-6-4-7-11-16/h4-15H,3H2,1-2H3/b18-14-,19-15+
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n/an/an/an/a 3.22E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51798
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methoxyphen...)
Show SMILES COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22FN3O3/c1-31-19-10-4-16(5-11-19)14-30-15-21-25(17-6-8-18(27)9-7-17)28-29-26(21)20-12-23(32-2)24(33-3)13-22(20)30/h4-13,15H,14H2,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51817
PNG
(1-(4-methoxyphenyl)-5-oxidanylidene-N-[5-(pyridin-...)
Show SMILES COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCc2ccccn2)s1
Show InChI InChI=1S/C20H19N5O3S2/c1-28-16-7-5-15(6-8-16)25-11-13(10-17(25)26)18(27)22-19-23-24-20(30-19)29-12-14-4-2-3-9-21-14/h2-9,13H,10-12H2,1H3,(H,22,23,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51820
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid N'-acr...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NNc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C24H17N3O2/c28-22-14-16-8-2-1-7-15(16)13-19(22)24(29)27-26-23-17-9-3-5-11-20(17)25-21-12-6-4-10-18(21)23/h1-14,28H,(H,25,26)(H,27,29)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51821
PNG
(4-(4-penten-2-ynyl)-4-(3-phenyl-2-propynyl)morphol...)
Show SMILES C=CC#CC[N+]1(CC#Cc2ccccc2)CCOCC1
Show InChI InChI=1S/C18H20NO/c1-2-3-7-12-19(14-16-20-17-15-19)13-8-11-18-9-5-4-6-10-18/h2,4-6,9-10H,1,12-17H2/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM48807
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-2-34-16-18-35(19-17-34)15-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-5-7-26(32)20-24)27-8-3-4-9-28(27)39-29/h3-13,20-21H,2,14-19,22H2,1H3,(H,33,37)/b29-21+
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n/an/an/an/a 6.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51829
PNG
(1-[[1-(4-chlorobenzyl)pyrrol-2-yl]methyl]-1-(3-pyr...)
Show SMILES FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C27H30ClF3N4S/c28-23-11-9-21(10-12-23)19-34-16-4-8-25(34)20-35(17-5-15-33-13-1-2-14-33)26(36)32-24-7-3-6-22(18-24)27(29,30)31/h3-4,6-12,16,18H,1-2,5,13-15,17,19-20H2,(H,32,36)
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n/an/an/an/a 7.06E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51831
PNG
(1-[[1-(4-chlorobenzyl)pyrrol-2-yl]methyl]-3-[3-(me...)
Show SMILES CSc1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C27H33ClN4S2/c1-34-26-9-4-7-24(19-26)29-27(33)32(18-6-16-30-14-2-3-15-30)21-25-8-5-17-31(25)20-22-10-12-23(28)13-11-22/h4-5,7-13,17,19H,2-3,6,14-16,18,20-21H2,1H3,(H,29,33)
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n/an/an/an/a 7.10E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51845
PNG
(4-[(4-methylphenyl)methyl]-N-[1-(phenylmethyl)-4-p...)
Show SMILES Cc1ccc(CN2CCSc3ccc(cc23)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33N3OS/c1-22-7-9-24(10-8-22)21-32-17-18-34-28-12-11-25(19-27(28)32)29(33)30-26-13-15-31(16-14-26)20-23-5-3-2-4-6-23/h2-12,19,26H,13-18,20-21H2,1H3,(H,30,33)
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n/an/an/an/a 4.92E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51857
PNG
(MLS001010894 | N-[4-(3-bromophenyl)-1,3-thiazol-2-...)
Show SMILES CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H24BrN5O2S2/c1-29(2)11-6-12-30-22(32)18-9-3-4-10-19(18)27-24(30)34-15-21(31)28-23-26-20(14-33-23)16-7-5-8-17(25)13-16/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,26,28,31)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51861
PNG
(IW-LK | MLS000562581 | SMR000391065 | cid_16196530)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-34-42(60-62-68)40(53)31-36(3)4)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-35-43(61-63-69)46(54)37(5)7-2;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/an/an/a 1.03E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51873
PNG
(MLS000562837 | SMR000391145 | YW-LY | cid_16196610)
Show SMILES Cl.CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-26-79-28-30-81-31-29-80-27-17-60-55-62-56(71-22-18-69(19-23-71)53(77)51(34-41-11-15-45(76)16-12-41)73-37-49(65-67-73)46(58)32-39(2)3)64-57(63-55)72-24-20-70(21-25-72)54(78)52(36-43-35-42-7-5-6-8-48(42)61-43)74-38-50(66-68-74)47(59)33-40-9-13-44(75)14-10-40;/h1,5-16,35,37-39,46-47,51-52,61,75-76H,17-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H
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n/an/an/an/a 1.29E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51878
PNG
(2,6-bis(iodanyl)-4-[2-(1,3,3-trimethylindol-2-ylid...)
Show SMILES CN1C(=C=Cc2cc(I)c(O)c(I)c2)C(C)(C)c2ccccc12
Show InChI InChI=1S/C19H17I2NO/c1-19(2)13-6-4-5-7-16(13)22(3)17(19)9-8-12-10-14(20)18(23)15(21)11-12/h4-8,10-11,23H,1-3H3
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n/an/an/an/a 5.14E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51886
PNG
(2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1
Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)
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n/an/an/an/a 9.64E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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n/an/an/an/a 140n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51907
PNG
((6E)-2-methoxy-6-[[(6-methoxy-2-methyl-4-quinoliny...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3cccc(OC)c3O)c2c1
Show InChI InChI=1S/C19H19N3O3/c1-12-9-17(15-10-14(24-2)7-8-16(15)21-12)22-20-11-13-5-4-6-18(25-3)19(13)23/h4-10,23H,11H2,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51909
PNG
(2-[2-[(3-methoxyphenoxy)methyl]-3-methyl-1-benzimi...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-19-33-28(31)21-30-26-18-12-11-17-25(26)29(2)27(30)22-34-24-16-14-15-23(20-24)32-3/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/an/an/a 2.15E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51913
PNG
(3-(4-chlorophenyl)-N-[2-(dipropylamino)ethyl]-1-me...)
Show SMILES CCCN(CCC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN4OS/c1-4-11-26(12-5-2)13-10-23-20(27)18-14-17-19(24-25(3)21(17)28-18)15-6-8-16(22)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3,(H,23,27)
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n/an/an/an/a 1.12E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51930
PNG
((2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phe...)
Show SMILES CNC[C@H](CC1CCCCC1)NC[C@H](Cc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C31H51N3/c1-32-22-29(17-24-8-4-2-5-9-24)34-23-30(18-25-10-6-3-7-11-25)33-13-12-31-19-26-14-27(20-31)16-28(15-26)21-31/h3,6-7,10-11,24,26-30,32-34H,2,4-5,8-9,12-23H2,1H3/t26?,27?,28?,29-,30-,31?/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51935
PNG
(MLS000911581 | N-[3-[[4-[(4-ethyl-1-piperazinyl)me...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4cccs4)cc(OC)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O3S/c1-3-39-8-10-40(11-9-39)20-21-6-7-25(17-28(21)32(33,34)35)37-30(41)22-14-26(16-27(15-22)43-2)38-31(42)24-13-23(18-36-19-24)29-5-4-12-44-29/h4-7,12-19H,3,8-11,20H2,1-2H3,(H,37,41)(H,38,42)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51937
PNG
((1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)met...)
Show SMILES NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51793
PNG
(4-acetyl-3,5-dimethyl-N-(2-thiazolin-2-yl)-1H-pyrr...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)NC2=NCCS2)c1C
Show InChI InChI=1S/C12H15N3O2S/c1-6-9(8(3)16)7(2)14-10(6)11(17)15-12-13-4-5-18-12/h14H,4-5H2,1-3H3,(H,13,15,17)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51801
PNG
(4-({4-[(2,4-dichlorobenzyl)oxy]benzyl}amino)-1-but...)
Show SMILES OCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H21Cl2NO2/c19-16-6-5-15(18(20)11-16)13-23-17-7-3-14(4-8-17)12-21-9-1-2-10-22/h3-8,11,21-22H,1-2,9-10,12-13H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51811
PNG
(3-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H12ClN3O2S/c17-11-3-1-10(2-4-11)15-18-19-16(23)20(15)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9H,7-8H2,(H,19,23)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM48732
PNG
((1-cetyl-4-pyridylidene)methyl-keto-ammonium;bromi...)
Show SMILES CCCCCCCCCCCCCCCCN1C=CC(=C[NH+]=O)C=C1
Show InChI InChI=1S/C22H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-22(17-20-24)21-23-25/h16-17,19-21H,2-15,18H2,1H3/p+1
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n/an/an/an/a 8.61E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51818
PNG
(MLS000696684 | N-(6-chloranyl-1,3-benzothiazol-2-y...)
Show SMILES CN(C)CCCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C23H26ClN3OS/c1-26(2)12-5-13-27(23-25-20-11-10-19(24)15-21(20)29-23)22(28)18-9-8-16-6-3-4-7-17(16)14-18/h8-11,14-15H,3-7,12-13H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51822
PNG
(MLS000418431 | N-(2-methoxyphenyl)-3-methyl-N-(pht...)
Show SMILES COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C24H20N2O4/c1-16-8-7-9-17(14-16)22(27)25(20-12-5-6-13-21(20)30-2)15-26-23(28)18-10-3-4-11-19(18)24(26)29/h3-14H,15H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51825
PNG
(1-[[1-(4-chlorobenzyl)pyrrol-2-yl]methyl]-3-(3-chl...)
Show SMILES Clc1ccc(Cn2cccc2CN(CCCN2CCCC2)C(=S)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H30Cl2N4S/c27-22-11-9-21(10-12-22)19-31-16-4-8-25(31)20-32(17-5-15-30-13-1-2-14-30)26(33)29-24-7-3-6-23(28)18-24/h3-4,6-12,16,18H,1-2,5,13-15,17,19-20H2,(H,29,33)
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n/an/an/an/a 5.85E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51827
PNG
(MLS000732759 | N-[[3-(4-fluorophenyl)-1-(4-methylp...)
Show SMILES Cc1nccn1CCCNCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H26FN5/c1-18-4-10-23(11-5-18)30-17-21(24(28-30)20-6-8-22(25)9-7-20)16-26-12-3-14-29-15-13-27-19(29)2/h4-11,13,15,17,26H,3,12,14,16H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51837
PNG
(MLS000708420 | N-[4-(dimethylamino)phenyl]-2-(4-hy...)
Show SMILES CN(C)c1ccc(NC(=O)CN2CCC(O)(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23(2)19-10-8-18(9-11-19)22-20(25)16-24-14-12-21(26,13-15-24)17-6-4-3-5-7-17/h3-11,26H,12-16H2,1-2H3,(H,22,25)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51850
PNG
(7-(4-{[(4-bromobenzoyl)amino]carbonothioyl}piperaz...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrFN4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-7-9-30(10-8-29)24(35)27-22(32)14-3-5-15(25)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/an/an/a 3.78E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51860
PNG
(MLS000562855 | SMR000391143 | YW-LK | cid_16196513)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H76N18O6.ClH/c1-4-26-76-28-30-78-31-29-77-27-17-58-52-60-53(69-22-18-67(19-23-69)50(74)48(11-7-8-16-55)71-36-46(63-65-71)43(56)32-38(2)3)62-54(61-52)70-24-20-68(21-25-70)51(75)49(35-41-34-40-9-5-6-10-45(40)59-41)72-37-47(64-66-72)44(57)33-39-12-14-42(73)15-13-39;/h1,5-6,9-10,12-15,34,36-38,43-44,48-49,59,73H,7-8,11,16-33,35,55-57H2,2-3H3,(H,58,60,61,62);1H/t43-,44-,48-,49-;/m0./s1
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n/an/an/an/a 1.11E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51864
PNG
(IW-IW | MLS000562565 | SMR000391068 | cid_16196557)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-26-77-28-30-79-31-29-78-27-17-59-54-62-55(71-22-18-69(19-23-71)52(75)48(34-42-32-40-13-9-11-15-44(40)60-42)73-36-46(65-67-73)50(57)38(4)7-2)64-56(63-54)72-24-20-70(21-25-72)53(76)49(35-43-33-41-14-10-12-16-45(41)61-43)74-37-47(66-68-74)51(58)39(5)8-3;/h1,9-16,32-33,36-39,48-51,60-61H,7-8,17-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H
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n/an/an/an/a 4.10E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51869
PNG
(MLS000562843 | SMR000391141 | YW-LI | cid_16196586)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(61-54(60-52)69-23-19-67(20-24-69)51(74)49(38(5)7-2)71-36-47(63-65-71)43(55)31-37(3)4)68-21-17-66(18-22-68)50(73)48(34-41-33-40-10-8-9-11-45(40)58-41)70-35-46(62-64-70)44(56)32-39-12-14-42(72)15-13-39;/h1,8-15,33,35-38,43-44,48-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38-,43-,44-,48-,49-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51870
PNG
(IW-LY | MLS000562575 | SMR000391067 | cid_16196590)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(68-21-17-66(18-22-68)50(73)47(32-39-12-14-42(72)15-13-39)70-35-45(62-64-70)43(55)31-37(3)4)61-54(60-52)69-23-19-67(20-24-69)51(74)48(34-41-33-40-10-8-9-11-44(40)58-41)71-36-46(63-65-71)49(56)38(5)7-2;/h1,8-15,33,35-38,43,47-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51872
PNG
(LY-LY | MLS000562569 | SMR000391062 | cid_16196600)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C52H74N16O7.ClH/c1-6-24-73-26-28-75-29-27-74-25-15-55-50-56-51(65-20-16-63(17-21-65)48(71)46(32-38-7-11-40(69)12-8-38)67-34-44(59-61-67)42(53)30-36(2)3)58-52(57-50)66-22-18-64(19-23-66)49(72)47(33-39-9-13-41(70)14-10-39)68-35-45(60-62-68)43(54)31-37(4)5;/h1,7-14,34-37,42-43,46-47,69-70H,15-33,53-54H2,2-5H3,(H,55,56,57,58);1H/t42-,43-,46-,47-;/m0./s1
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n/an/an/an/a 2.51E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51881
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(4-meth...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H28N4O3S/c1-4-30(5-2)14-15-33-26(31)20-6-10-22(11-7-20)28-17-21(16-27)25-29-24(18-34-25)19-8-12-23(32-3)13-9-19/h6-13,17-18,21H,4-5,14-15H2,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51887
PNG
(LIW-LI | MLS000562537 | SMR000391049 | cid_1674536...)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H77N17O5.ClH/c1-8-23-71-25-27-73-28-26-72-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(70)46(37(7)9-2)68-34-44(60-62-68)41(53)30-36(5)6)65-19-15-63(16-20-65)47(69)45(32-39-31-38-12-10-11-13-42(38)55-39)67-33-43(59-61-67)40(52)29-35(3)4;/h1,10-13,31,33-37,40-41,45-46,55H,9,14-30,32,52-53H2,2-7H3,(H,54,56,57,58);1H/t37-,40-,41-,45-,46-;/m0./s1
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n/an/an/an/a 2.09E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51888
PNG
(MLS000562858 | SMR000391149 | YW-IY | cid_16745383)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-27-79-29-31-81-32-30-80-28-18-60-55-62-56(71-23-19-69(20-24-71)53(77)50(34-41-12-16-45(76)17-13-41)74-38-49(66-68-74)52(59)39(3)5-2)64-57(63-55)72-25-21-70(22-26-72)54(78)51(36-43-35-42-8-6-7-9-47(42)61-43)73-37-48(65-67-73)46(58)33-40-10-14-44(75)15-11-40;/h1,6-17,35,37-39,46,50-52,61,75-76H,5,18-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H/t39?,46-,50-,51-,52-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51889
PNG
(MLS000562859 | SMR000391152 | YW-SI | cid_16745385)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C51H69N17O7.ClH/c1-4-23-73-25-27-75-28-26-74-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(72)46(35(3)5-2)68-33-44(60-62-68)41(53)34-69)65-19-15-63(16-20-65)47(71)45(31-38-30-37-8-6-7-9-42(37)55-38)67-32-43(59-61-67)40(52)29-36-10-12-39(70)13-11-36;/h1,6-13,30,32-33,35,40-41,45-46,55,69-70H,5,14-29,31,34,52-53H2,2-3H3,(H,54,56,57,58);1H/t35-,40-,41-,45-,46-;/m0./s1
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n/an/an/an/a 620n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51893
PNG
(4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpipe...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
Show InChI InChI=1S/C32H41NO6/c1-5-6-7-10-23-17-29(34)39-32-30(23)27(35-3)18-28(36-4)31(32)24(13-15-33-14-8-9-21(2)19-33)22-11-12-25-26(16-22)38-20-37-25/h11-12,16-18,21,24H,5-10,13-15,19-20H2,1-4H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51897
PNG
(4-amyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-pipe...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12
Show InChI InChI=1S/C31H41NO5/c1-5-6-8-11-23-20-28(33)37-31-29(23)26(35-3)21-27(36-4)30(31)25(16-19-32-17-9-7-10-18-32)22-12-14-24(34-2)15-13-22/h12-15,20-21,25H,5-11,16-19H2,1-4H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51898
PNG
(MLS000562616 | SI-IK | SMR000453714 | cid_23640864)
Show SMILES Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)CC)n1cc(nn1)C(N)COC(=O)C(F)(F)F
Show InChI InChI=1S/C45H72F3N17O7.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-52-42-53-43(62-18-14-60(15-19-62)39(66)36(11-9-10-12-49)64-29-35(57-58-64)37(51)31(4)7-2)55-44(54-42)63-20-16-61(17-21-63)40(67)38(32(5)8-3)65-28-34(56-59-65)33(50)30-72-41(68)45(46,47)48;/h1,28-29,31-33,36-38H,7-27,30,49-51H2,2-5H3,(H,52,53,54,55);1H/t31-,32+,33?,36+,37?,38?;/m1./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51900
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-m-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-13-19-32-28(31)21-30-26-18-12-11-17-25(26)29(3)27(30)22-33-24-16-14-15-23(2)20-24/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51904
PNG
(1-Decyloxycarbonylmethyl-2-(2-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-15-20-33-28(31)21-30-24-17-12-11-16-23(24)29(2)27(30)22-34-26-19-14-13-18-25(26)32-3/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51903
PNG
(1-Decyloxycarbonylmethyl-2-(4-methoxy-phenoxymethy...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-20-33-28(31)21-30-26-15-12-11-14-25(26)29(2)27(30)22-34-24-18-16-23(32-3)17-19-24/h11-12,14-19H,4-10,13,20-22H2,1-3H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51911
PNG
((4-isopropoxybenzyl)-[3-(2-methoxyphenyl)-3-(4-met...)
Show SMILES COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
Show InChI InChI=1S/C27H33NO3/c1-20(2)31-24-13-9-21(10-14-24)19-28-18-17-25(22-11-15-23(29-3)16-12-22)26-7-5-6-8-27(26)30-4/h5-16,20,25,28H,17-19H2,1-4H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51915
PNG
(MLS001199341 | N-[2-[butyl(ethyl)amino]ethyl]-3-(4...)
Show SMILES CCCCN(CC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN4OS/c1-4-6-12-26(5-2)13-11-23-20(27)18-14-17-19(24-25(3)21(17)28-18)15-7-9-16(22)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3,(H,23,27)
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n/an/an/an/a 2.28E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51921
PNG
((2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothi...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C=C\C=C\C=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C25H25N2S2/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25/h5-19H,3-4H2,1-2H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51924
PNG
((4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[[3-(t...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1cccc(F)c1
Show InChI InChI=1S/C28H25F4N3O2/c1-18-24(26(36)37-2)25(21-11-7-13-23(29)15-21)34-27(35(18)17-19-8-4-3-5-9-19)33-16-20-10-6-12-22(14-20)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,33,34)/t25-/m0/s1
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n/an/an/an/a 1.38E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51928
PNG
(MLS001090557 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C25H29ClN4O/c1-18(2)30-17-19(15-27-30)16-29-11-9-20(10-12-29)25(31)28-24-8-4-6-22(14-24)21-5-3-7-23(26)13-21/h3-8,13-15,17-18,20H,9-12,16H2,1-2H3,(H,28,31)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM32035
PNG
(MLS000080234 | SMR000040438 | cid_659413)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
Show InChI InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51794
PNG
(1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]ure...)
Show SMILES Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C17H23N3O/c1-12-9-14-10-13(7-8-16(14)19-12)11-18-17(21)20-15-5-3-2-4-6-15/h7-10,15,19H,2-6,11H2,1H3,(H2,18,20,21)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51799
PNG
((4-bromophenyl)-[5-(4-bromophenyl)iminopenta-1,3-d...)
Show SMILES Brc1ccc(cc1)N=CCC=CC=Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H14Br2N2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h1-2,4-13H,3H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM39739
PNG
(3-[2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopen...)
Show SMILES Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1
Show InChI InChI=1S/C25H23BrN4O2/c26-20-8-9-22-21(15-20)23(25(31)28-22)29-27-16-19-7-6-18(14-17-4-2-1-3-5-17)24(19)30-10-12-32-13-11-30/h1-5,8-9,14-16H,6-7,10-13H2,(H,28,29,31)
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n/an/an/an/a 2.07E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM44965
PNG
(5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-(p-tol...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H22BrN3O4S/c1-4-29-21(28)20-15-9-19(30-13(3)27)16(23)10-17(15)26(18(20)11-31-22(24)25)14-7-5-12(2)6-8-14/h5-10H,4,11H2,1-3H3,(H3,24,25)
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n/an/an/an/a 1.03E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51803
PNG
(2-[4-(Acetyl-phenyl-amino)-buta-1,3-dienyl]-3-ethy...)
Show SMILES CC[n+]1c(\C=C\C=C\N(C(C)=O)c2ccccc2)sc2ccccc12
Show InChI InChI=1S/C21H21N2OS/c1-3-22-19-13-7-8-14-20(19)25-21(22)15-9-10-16-23(17(2)24)18-11-5-4-6-12-18/h4-16H,3H2,1-2H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51806
PNG
(6,7-dimethoxy-3-(4-methoxybenzyl)-2-[(2-methylbenz...)
Show SMILES COc1ccc(Cn2c(SCc3ccccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
Show InChI InChI=1S/C26H27N3O3S/c1-17-7-5-6-8-19(17)16-33-26-28-22-14-24(32-4)23(31-3)13-21(22)25(27)29(26)15-18-9-11-20(30-2)12-10-18/h5-14,27H,15-16H2,1-4H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51808
PNG
(2-[[4-(2-chlorobenzyl)oxybenzylidene]amino]guanidi...)
Show SMILES NC(N)=NN=Cc1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C15H15ClN4O/c16-14-4-2-1-3-12(14)10-21-13-7-5-11(6-8-13)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51814
PNG
((2-butyltetrazol-5-yl)-[dibutoxyphosphoryl-(4-fluo...)
Show SMILES CCCCOP(=O)(OCCCC)C(Nc1nnn(CCCC)n1)c1ccc(F)cc1
Show InChI InChI=1S/C20H33FN5O3P/c1-4-7-14-26-24-20(23-25-26)22-19(17-10-12-18(21)13-11-17)30(27,28-15-8-5-2)29-16-9-6-3/h10-13,19H,4-9,14-16H2,1-3H3,(H,22,24)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51832
PNG
(MLS000589651 | SMR000219434 | cid_3757714)
Show SMILES N#CC(C#N)=c1ccc2=NC34CCCCC3C(C=C(N4c2c1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24N4/c31-19-24(20-32)23-14-15-27-29(17-23)34-28(22-11-5-2-6-12-22)18-25(21-9-3-1-4-10-21)26-13-7-8-16-30(26,34)33-27/h1-6,9-12,14-15,17-18,25-26H,7-8,13,16H2
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51833
PNG
(2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)s...)
Show SMILES COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H22ClN3O7S/c1-13-4-6-15(11-16(13)23(25)26)31(27,28)22(12-19(24)21-8-9-29-2)17-10-14(20)5-7-18(17)30-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,24)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM33176
PNG
((2E)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51844
PNG
(4-[2-[4-(2-fluorophenyl)-1-piperazinyl]-3,4-dioxo-...)
Show SMILES CCOC(=O)N1CCN(CC1)c1c(N2CCN(CC2)c2ccccc2F)c(=O)c1=O
Show InChI InChI=1S/C21H25FN4O4/c1-2-30-21(29)26-13-11-25(12-14-26)18-17(19(27)20(18)28)24-9-7-23(8-10-24)16-6-4-3-5-15(16)22/h3-6H,2,7-14H2,1H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51846
PNG
(9-chloranyl-N-(5-chloranylpyridin-2-yl)-2,3-dihydr...)
Show SMILES Clc1ccc(NC(=O)c2ccc3c(Cl)c4CCCc4nc3c2)nc1
Show InChI InChI=1S/C18H13Cl2N3O/c19-11-5-7-16(21-9-11)23-18(24)10-4-6-13-15(8-10)22-14-3-1-2-12(14)17(13)20/h4-9H,1-3H2,(H,21,23,24)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM50505
PNG
(4-methyl-5-[2-(2-pyrimidinylamino)-4-thiazolyl]-2-...)
Show SMILES Cc1nc(N)sc1-c1csc(Nc2ncccn2)n1
Show InChI InChI=1S/C11H10N6S2/c1-6-8(19-9(12)15-6)7-5-18-11(16-7)17-10-13-3-2-4-14-10/h2-5H,1H3,(H2,12,15)(H,13,14,16,17)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51855
PNG
(MLS001017289 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/an/an/a 5.01E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51874
PNG
(IY-LW | MLS000562549 | SMR000391085 | cid_16196636)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(68-21-17-66(18-22-68)50(73)47(32-39-12-14-42(72)15-13-39)71-36-46(63-65-71)49(56)38(5)7-2)61-54(60-52)69-23-19-67(20-24-69)51(74)48(34-41-33-40-10-8-9-11-44(40)58-41)70-35-45(62-64-70)43(55)31-37(3)4;/h1,8-15,33,35-38,43,47-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38?,43-,47-,48-,49-;/m0./s1
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n/an/an/an/a 2.50E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM45687
PNG
(MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...)
Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21
Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)
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n/an/an/an/a 4.06E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51880
PNG
(4-[3-(2,4-diamino-5-methylphenyl)azo-4-methylpheny...)
Show SMILES Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N
Show InChI InChI=1S/C21H24N8/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25/h4-10H,22-25H2,1-3H3/b28-26+,29-27+
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM32065
PNG
(2-[3-(2-furanylmethyl)-5-[[4-(N-methylanilino)phen...)
Show SMILES CN(c1ccccc1)c1ccc(C=c2s\c(=C(\C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
Show InChI InChI=1S/C29H27N3O3S/c1-29(2,3)26(33)24(18-30)28-32(19-23-11-8-16-35-23)27(34)25(36-28)17-20-12-14-22(15-13-20)31(4)21-9-6-5-7-10-21/h5-17H,19H2,1-4H3/b25-17?,28-24-
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n/an/an/an/a 170n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51927
PNG
(5-(3-bromanyl-4-methoxy-phenyl)-N-(4-ethylphenyl)-...)
Show SMILES CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OC)c(Br)c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21BrN3OS/c1-3-16-9-12-18(13-10-16)25-23-26-27(19-7-5-4-6-8-19)22(29-23)17-11-14-21(28-2)20(24)15-17/h4-15H,3H2,1-2H3,(H,25,26)/q+1
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n/an/an/an/a 4.62E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51932
PNG
(5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H22ClN3O2/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)24-22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11H,12-15H2,1H3,(H,24,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM8416
PNG
((5Z)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}...)
Show SMILES Fc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1
Show InChI InChI=1S/C17H12FNO2S2/c1-2-9-19-16(20)15(23-17(19)22)10-13-7-8-14(21-13)11-3-5-12(18)6-4-11/h2-8,10H,1,9H2/b15-10-
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n/an/an/an/a 2.20E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%