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36 similar compounds to monomer 50092339

Compile data set for download or QSAR
Wt: 529.7
BDBM50229915
Wt: 437.5
BDBM50229914
Wt: 375.4
BDBM50230849
Wt: 307.3
BDBM50312641
Wt: 463.5
BDBM50092340
Wt: 416.5
BDBM50092343
Wt: 348.4
BDBM50092342
Wt: 405.2
BDBM50208350
Wt: 426.9
BDBM50208351
Wt: 579.1
BDBM50208353
Wt: 553.0
BDBM50208354
Wt: 572.0
BDBM50208356
Wt: 461.4
BDBM50208357
Wt: 401.3
BDBM50230838
Wt: 331.3
BDBM50230839
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50229915,50229914,50230849,50312641,50092340,50092343,50092342,50208350,50208351,50208353,50208354,50208356,50208357,50230838,50230839   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50230849
PNG
(CHEMBL71207)
Show SMILES CN1C(=O)N2CC(CN3CCN(CC3)c3ccccc3)N=C2c2ccccc12
Show InChI InChI=1S/C22H25N5O/c1-24-20-10-6-5-9-19(20)21-23-17(16-27(21)22(24)28)15-25-11-13-26(14-12-25)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
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11n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).


J Med Chem 36: 2196-207 (1993)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(COC(C)=O)=C[C@H]3c2c(O)c1C(O)=O
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
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47n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
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98n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
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103n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(COC(C)=O)=C[C@H]3c2c(O)c1C(O)=O
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
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912n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)[C@@](C)(O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
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2.14E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50230849
PNG
(CHEMBL71207)
Show SMILES CN1C(=O)N2CC(CN3CCN(CC3)c3ccccc3)N=C2c2ccccc12
Show InChI InChI=1S/C22H25N5O/c1-24-20-10-6-5-9-19(20)21-23-17(16-27(21)22(24)28)15-25-11-13-26(14-12-25)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
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3.33E+3n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor by measuring displacement of [3H]clonidine from rat brain cortex membranes (in vitro).


J Med Chem 36: 2196-207 (1993)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)[C@@](C)(O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
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5.67E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50229915
PNG
(CHEMBL101358)
Show SMILES CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@@H](N)CCC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H51N3O4/c1-2-3-4-5-6-7-8-9-10-14-20-29(35)34-23-16-15-19-27(34)24-33-31(37)28(32)21-22-30(36)38-25-26-17-12-11-13-18-26/h11-13,17-18,27-28H,2-10,14-16,19-25,32H2,1H3,(H,33,37)/t27?,28-/m0/s1
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n/an/a 9.20E+4n/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of [32P] incorporation into histones by rat brain partially purified Protein kinase C in the presence of PMA, [Ca2+] and phosphat...


J Med Chem 34: 2928-31 (1991)


Article DOI: 10.1021/jm00113a038
BindingDB Entry DOI: 10.7270/Q2KH0NZG
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
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n/an/an/a 7.5n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human WDR5 by isothermal titration calorimetry


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 7.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208356
PNG
(CHEMBL3884738)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H31ClFN5O2/c1-20-29(33)25(19-26(35)30(20)34)32(41)37-27-18-23(10-13-28(27)39-16-14-38(2)15-17-39)21-8-11-24(12-9-21)36-31(40)22-6-4-3-5-7-22/h3-13,18-19H,14-17,35H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 422n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208357
PNG
(CHEMBL3884315)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H23N5O5/c1-26-11-13-27(14-12-26)23-10-7-18(17-5-8-20(9-6-17)28(31)32)16-22(23)25-24(30)19-3-2-4-21(15-19)29(33)34/h2-10,15-16H,11-14H2,1H3,(H,25,30)
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n/an/a 285n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/an/a 14n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human WDR5 by isothermal titration calorimetry


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
MLL


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 300n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
MLL


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 190n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229914
PNG
(CHEMBL98907)
Show SMILES CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H27N7/c1-4-5-10-23-28-24-17(2)15-18(3)27-26(24)33(23)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)25-29-31-32-30-25/h6-9,11-15H,4-5,10,16H2,1-3H3,(H,29,30,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50230839
PNG
(CHEMBL15087)
Show SMILES NC1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C17H18FN3O3/c18-13-5-11-14(6-15(13)20-4-3-9(19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h5-6,8-10H,1-4,7,19H2,(H,23,24)
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n/an/a 2.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of the gyrase mediated cleavage of supercoiled DNA


J Med Chem 36: 1964-70 (1993)

More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50230838
PNG
(CHEMBL540707)
Show SMILES NC1CCC(=C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H14F3N3O3/c21-10-2-4-16(14(22)6-10)26-8-13(20(28)29)18(27)12-7-15(23)17(25-19(12)26)9-1-3-11(24)5-9/h2,4-8,11H,1,3,24H2,(H,28,29)
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n/an/a 6.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of the gyrase mediated cleavage of supercoiled DNA


J Med Chem 36: 1964-70 (1993)

More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50208351
PNG
(CHEMBL128767)
Show SMILES CCCCC(C)(C)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O/c1-4-5-12-22(2,3)20(28-19(30)16-8-10-17(23)11-9-16)29-21(26-15-24)27-18-7-6-13-25-14-18/h6-11,13-14,20H,4-5,12H2,1-3H3,(H,28,30)(H2,26,27,29)
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n/an/an/an/a<1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.063
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50208350
PNG
(CHEMBL128062)
Show SMILES Cc1cccc(c1)C(=O)NC(\N=C(/NC#N)Nc1cccnc1)C(C)(Cl)Cl
Show InChI InChI=1S/C18H18Cl2N6O/c1-12-5-3-6-13(9-12)15(27)25-16(18(2,19)20)26-17(23-11-21)24-14-7-4-8-22-10-14/h3-10,16H,1-2H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 5.01E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.063
More data for this
Ligand-Target Pair
Sortase A (SrtA)


(Staphylococcus aureus)
BDBM50312641
PNG
(CHEMBL453817 | Makaluvamine D)
Show SMILES Oc1ccc(CC=Nc2cc3NCCc4c[nH]c(c2O)c34)cc1
Show InChI InChI=1S/C18H17N3O2/c22-13-3-1-11(2-4-13)5-7-20-15-9-14-16-12(6-8-19-14)10-21-17(16)18(15)23/h1-4,7,9-10,19,21-23H,5-6,8H2
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n/an/a 1.49E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus sortase A after 1 hr in the presence of fluorescent peptide Dabcul-QALPETGEE-Edans by fluorimetry


J Nat Prod 73: 258-62 (2010)


Article DOI: 10.1021/np9005629
BindingDB Entry DOI: 10.7270/Q2BV7HM8
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 8.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
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n/an/a 301n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
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n/an/a 316n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair