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PubChem AID 425

Compile data set for download or QSAR
Found 102 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
MKP-3


(Rattus norvegicus)
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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n/an/a 239n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31752
PNG
(Icosa‐5,8,11,14‐tetraynoic acid (D3) |...)
Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
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n/an/a 832n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32061
PNG
(1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyr...)
Show SMILES Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
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/a 1.19E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35407
PNG
(8-(cyclohexoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cy...)
Show SMILES OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1
Show InChI InChI=1S/C20H23NO4/c22-19(23)18-15-8-4-7-14(15)16-11-12(9-10-17(16)21-18)20(24)25-13-5-2-1-3-6-13/h4,7,9-11,13-15,18,21H,1-3,5-6,8H2,(H,22,23)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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n/an/a 2.32E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35417
PNG
(MLS000089222 | N-[3-({[3-(1H-benzimidazol-2-yl)phe...)
Show SMILES O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1
Show InChI InChI=1S/C25H18N4O3/c30-24(17-7-4-9-19(15-17)27-25(31)22-12-5-13-32-22)26-18-8-3-6-16(14-18)23-28-20-10-1-2-11-21(20)29-23/h1-15H,(H,26,30)(H,27,31)(H,28,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM47669
PNG
(3-(2-{(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidi...)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14ClN3O4/c22-14-6-8-15(9-7-14)25-19(26)18(23-21(25)29)12-17-5-2-10-24(17)16-4-1-3-13(11-16)20(27)28/h1-12H,(H,23,29)(H,27,28)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50102180
PNG
(CHEMBL57978 | Furan-2-yl-hydroxy-acetic acid | cid...)
Show SMILES OC(C(O)=O)c1ccco1
Show InChI InChI=1S/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)
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n/an/a 3.73E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
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n/an/a 6.78E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM48775
PNG
((4E)-4-[(2-methyl-3-nitro-phenyl)hydrazinylidene]-...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H13N7O5S/c1-9-12(3-2-4-13(9)24(28)29)19-20-15-14(21-22(16(15)25)17(18)30)10-5-7-11(8-6-10)23(26)27/h2-8H,1H3,(H3,18,19,21,25,30)
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n/an/a 7.01E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50143
PNG
(3-[2-({3-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1
Show InChI InChI=1S/C25H21N3O5S/c1-15-8-9-20(16(2)11-15)26-22(29)14-28-23(30)21(34-25(28)33)13-19-7-4-10-27(19)18-6-3-5-17(12-18)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)/b21-13-
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n/an/a 7.90E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46245
PNG
(4-keto-5-methyl-2-[(E)-2-(4-methyl-3-nitro-phenyl)...)
Show SMILES Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C17H13N3O5S/c1-8-3-4-10(7-11(8)20(24)25)5-6-12-18-15(21)13-9(2)14(17(22)23)26-16(13)19-12/h3-7H,1-2H3,(H,22,23)(H,18,19,21)
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n/an/a 8.48E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM48853
PNG
((6E)-2-(2-furanyl)-5-imino-6-[[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1
Show InChI InChI=1S/C21H15N5O3S/c1-28-15-8-6-13(7-9-15)25-10-2-4-14(25)12-16-18(22)26-21(23-19(16)27)30-20(24-26)17-5-3-11-29-17/h2-12,22H,1H3/b16-12+,22-18?
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n/an/a 9.04E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM33065
PNG
(1-[[2,3-bis(2-furyl)quinoxalin-6-yl]carbamoyl]ison...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H24N4O5/c1-2-32-24(30)16-9-11-29(12-10-16)25(31)26-17-7-8-18-19(15-17)28-23(21-6-4-14-34-21)22(27-18)20-5-3-13-33-20/h3-8,13-16H,2,9-12H2,1H3,(H,26,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM40101
PNG
(2-(4-methoxyphenyl)-3-oxidanylidene-1H-isoindole-4...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
Show InChI InChI=1S/C16H13NO4/c1-21-12-7-5-11(6-8-12)17-9-10-3-2-4-13(16(19)20)14(10)15(17)18/h2-8H,9H2,1H3,(H,19,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35401
PNG
(3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-...)
Show SMILES OC1C(Sc2ccccc2NC1=O)c1ccccc1
Show InChI InChI=1S/C15H13NO2S/c17-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-15(13)18/h1-9,13-14,17H,(H,16,18)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM40629
PNG
(3-[2-(hydroximinomethyl)pyrrol-1-yl]benzoic acid |...)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1CN=O
Show InChI InChI=1S/C12H10N2O3/c15-12(16)9-3-1-4-10(7-9)14-6-2-5-11(14)8-13-17/h1-7H,8H2,(H,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34176
PNG
((3E)-6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-ylide...)
Show SMILES COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C18H13N3O3/c1-23-13-7-8-15-12(9-13)10-14(17(22)19-15)16-20-18(24-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53489
PNG
(MLS000030459 | SMR000039328 | cid_658507)
Show SMILES NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCCc4sc3n12
Show InChI InChI=1S/C20H19N5O2S2/c21-15(26)11-28-20-23-22-19-24(12-7-3-1-4-8-12)17(27)16-13-9-5-2-6-10-14(13)29-18(16)25(19)20/h1,3-4,7-8H,2,5-6,9-11H2,(H2,21,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34170
PNG
(2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...)
Show SMILES CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C13H14N2O3S2/c1-2-15-12(18)10-7-4-3-5-8(7)20-11(10)14-13(15)19-6-9(16)17/h2-6H2,1H3,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34235
PNG
(2-[[7-[(Z)-3-chlorobut-2-enyl]-2,6-diketo-3-methyl...)
Show SMILES CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
Show InChI InChI=1S/C15H19ClN4O4S/c1-5-24-13(22)9(3)25-15-17-11-10(20(15)7-6-8(2)16)12(21)18-14(23)19(11)4/h6,9H,5,7H2,1-4H3,(H,18,21,23)/b8-6-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53492
PNG
(6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxi...)
Show SMILES OC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O5S/c21-13-1-3-14(4-2-13)23-7-9-24(10-8-23)30(28,29)15-5-6-18-16(11-15)19(25)17(12-22-18)20(26)27/h1-6,11-12H,7-10H2,(H,22,25)(H,26,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31757
PNG
(6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES OC(=O)C1Nc2c(O)cccc2C2C=CCC12
Show InChI InChI=1S/C13H13NO3/c15-10-6-2-5-8-7-3-1-4-9(7)12(13(16)17)14-11(8)10/h1-3,5-7,9,12,14-15H,4H2,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM40631
PNG
(2-(5,6-dihydro-4H-cyclopent[d]isoxazole-3-carbonyl...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
Show InChI InChI=1S/C15H14N2O4/c1-20-15(19)9-5-2-3-7-11(9)16-14(18)13-10-6-4-8-12(10)21-17-13/h2-3,5,7H,4,6,8H2,1H3,(H,16,18)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31756
PNG
(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-7-12-10-4-3-5-11(10)14(15(17)18)16-13(12)9(8)2/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM41228
PNG
(2,3,5,6-tetrakis(2-furanyl)pyrazine | 2,3,5,6-tetr...)
Show SMILES c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
Show InChI InChI=1S/C20H12N2O4/c1-5-13(23-9-1)17-18(14-6-2-10-24-14)22-20(16-8-4-12-26-16)19(21-17)15-7-3-11-25-15/h1-12H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34185
PNG
(5-(2,4-dichlorophenyl)-N-[2-methyl-5-(3-methyl-[1,...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C22H15Cl2N5O2S/c1-11-3-4-13(21-28-29-12(2)26-27-22(29)32-21)9-17(11)25-20(30)19-8-7-18(31-19)15-6-5-14(23)10-16(15)24/h3-10H,1-2H3,(H,25,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31758
PNG
(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32047
PNG
((5-amino-6-quinolyl)amine | MLS000036429 | SMR0000...)
Show SMILES Nc1ccc2ncccc2c1N
Show InChI InChI=1S/C9H9N3/c10-7-3-4-8-6(9(7)11)2-1-5-12-8/h1-5H,10-11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM40576
PNG
(2-(2,5-Dimethyl-pyrrol-1-yl)-3-phenyl-propionic ac...)
Show SMILES Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-11-8-9-12(2)16(11)14(15(17)18)10-13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,17,18)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM29615
PNG
(6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES COc1cccc2C3C=CCC3C(Nc12)C(O)=O
Show InChI InChI=1S/C14H15NO3/c1-18-11-7-3-6-9-8-4-2-5-10(8)13(14(16)17)15-12(9)11/h2-4,6-8,10,13,15H,5H2,1H3,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46141
PNG
(1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione | 1...)
Show SMILES O=C1CC(=O)N(Cc2ccco2)C(=O)N1
Show InChI InChI=1S/C9H8N2O4/c12-7-4-8(13)11(9(14)10-7)5-6-2-1-3-15-6/h1-3H,4-5H2,(H,10,12,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM47086
PNG
(2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quina...)
Show SMILES Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
Show InChI InChI=1S/C16H12N4OS/c1-10-5-4-6-11(9-10)17-15-19-20-14(21)12-7-2-3-8-13(12)18-16(20)22-15/h2-9H,1H3,(H,17,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM48873
PNG
(4-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-9-5-15(6-10-18)23-29-24-20(13-17-3-1-2-4-21(17)34-24)25(30-23)35-14-22(31)28-19-11-7-16(8-12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34163
PNG
(3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...)
Show SMILES Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
Show InChI InChI=1S/C16H15N3S2/c17-8-13-12-6-7-19(9-11-4-2-1-3-5-11)10-14(12)16(20)21-15(13)18/h1-5H,6-7,9-10,18H2
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n/an/a 1.08E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31754
PNG
(MLS-0010366.0001 | N-(5-phenyl-1,2,4-thiadiazol-3-...)
Show SMILES O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
Show InChI InChI=1S/C20H14N6OS3/c27-16(21-18-22-17(30-25-18)14-9-5-2-6-10-14)12-29-20-24-23-19-26(20)15(11-28-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,25,27)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51780
PNG
(5-[5-(6-Bromo-3-oxo-benzo[4,5]imidazo[2,1-b]thiazo...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccc(C=c2sc3nc4ccc(Br)cc4n3c2=O)o1
Show InChI InChI=1S/C21H10BrClN2O4S/c22-11-2-5-15-16(8-11)25-19(26)18(30-21(25)24-15)9-12-3-6-17(29-12)10-1-4-14(23)13(7-10)20(27)28/h1-9H,(H,27,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM48721
PNG
(1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51773
PNG
(3-[2-({3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C
Show InChI InChI=1S/C25H21N3O5S/c1-15-8-9-18(11-16(15)2)26-22(29)14-28-23(30)21(34-25(28)33)13-20-7-4-10-27(20)19-6-3-5-17(12-19)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)/b21-13-
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n/an/a 1.72E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50513
PNG
(4-(2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-1,...)
Show SMILES Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
Show InChI InChI=1S/C34H24N2O7/c1-16-5-11-22(13-18(16)3)35-30(38)24-15-25-27(33(41)36(31(25)39)23-12-6-17(2)19(4)14-23)28(26(24)32(35)40)29(37)20-7-9-21(10-8-20)34(42)43/h5-15H,1-4H3,(H,42,43)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51065
PNG
((4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetic acid [1...)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)N\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C19H14N3O7/c1-11-6-19(25)29-17-8-14(3-4-15(11)17)28-10-18(24)21-20-9-12-7-13(22(26)27)2-5-16(12)23/h2-9H,10H2,1H3,(H,21,24)/q-1/p+1/b20-9+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51767
PNG
(2-[(4-methyl-2-quinolyl)thio]-N-[5-(p-tolyl)-1,2,4...)
Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
Show InChI InChI=1S/C21H18N4OS2/c1-13-7-9-15(10-8-13)20-24-21(25-28-20)23-18(26)12-27-19-11-14(2)16-5-3-4-6-17(16)22-19/h3-11H,12H2,1-2H3,(H,23,25,26)
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n/an/a 2.43E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51775
PNG
(2-[2-[(N''E)-N''-[4-(2,4-dichlorobenzyl)oxy-3-etho...)
Show SMILES CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H19Cl2N3O5S/c1-2-30-17-7-12(10-24-26-21-25-20(29)18(32-21)9-19(27)28)3-6-16(17)31-11-13-4-5-14(22)8-15(13)23/h3-8,29H,2,9-11H2,1H3,(H,27,28)
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n/an/a 2.56E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50422
PNG
(4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1
Show InChI InChI=1S/C22H19N3O2S/c1-13-9-18-19(10-14(13)2)25-21(24-18)17-7-8-20(23-11-17)28-12-15-3-5-16(6-4-15)22(26)27/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 2.58E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM75323
PNG
(2-[4-[[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]be...)
Show SMILES OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)
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n/an/a 2.73E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50647
PNG
(2,3,4,5-tetrahydroxy-6-benzo[7]annulenone | 2,3,4,...)
Show SMILES Oc1cc2cccc(=O)c(O)c2c(O)c1O
Show InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
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n/an/a 2.92E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51789
PNG
(2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
Show InChI InChI=1S/C21H16BrN3O6S3/c22-12-4-3-5-13(10-12)23-16(26)11-25-15-7-2-1-6-14(15)17(19(25)27)18-20(28)24(21(32)33-18)8-9-34(29,30)31/h1-7,10H,8-9,11H2,(H,23,26)(H,29,30,31)/b18-17-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51783
PNG
(3-[(5E)-5-[1-(2-chlorobenzyl)-2-keto-indolin-3-yli...)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H15ClN2O4S2/c22-14-7-3-1-5-12(14)11-24-15-8-4-2-6-13(15)17(19(24)27)18-20(28)23(21(29)30-18)10-9-16(25)26/h1-8H,9-11H2,(H,25,26)/b18-17+
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n/an/a 3.09E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50311847
PNG
(2-(3-(2-(2-hydroxy-5-nitrobenzoyl)hydrazono)-2-oxo...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H19N5O6/c1-14-6-8-15(9-7-14)25-21(31)13-28-19-5-3-2-4-17(19)22(24(28)33)26-27-23(32)18-12-16(29(34)35)10-11-20(18)30/h2-12,30H,13H2,1H3,(H,25,31)(H,27,32)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35430
PNG
(2-[(6-ethoxy-4-methyl-2-quinazolinyl)amino]-1,5,6,...)
Show SMILES CCOc1ccc2nc(Nc3nc4CCCc4c(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C18H19N5O2/c1-3-25-11-7-8-15-13(9-11)10(2)19-17(21-15)23-18-20-14-6-4-5-12(14)16(24)22-18/h7-9H,3-6H2,1-2H3,(H2,19,20,21,22,23,24)
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n/an/a 3.68E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 3.95E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51791
PNG
(5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...)
Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM43865
PNG
(6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carbo...)
Show SMILES COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
Show InChI InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3
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n/an/a 4.82E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51784
PNG
(3-[3-(4-bromophenyl)-5,9-dimethyl-7-oxidanylidene-...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
Show InChI InChI=1S/C22H17BrO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)
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n/an/a 6.92E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51788
PNG
(5-[(2E)-2-(8-oxidanylidenequinolin-5-ylidene)hydra...)
Show SMILES Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12
Show InChI InChI=1S/C19H13N3O4S/c23-17-10-9-16(14-6-3-11-20-19(14)17)22-21-15-7-1-5-13-12(15)4-2-8-18(13)27(24,25)26/h1-11,23H,(H,24,25,26)
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n/an/a 7.15E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46213
PNG
(2-[4-[[6-carbethoxy-3-keto-7-methyl-5-[4-(methylth...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1
Show InChI InChI=1S/C26H24N2O6S2/c1-4-33-25(32)22-15(2)27-26-28(23(22)17-7-11-19(35-3)12-8-17)24(31)20(36-26)13-16-5-9-18(10-6-16)34-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)
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n/an/a 7.26E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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n/an/a 7.44E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46212
PNG
(2-[2-chloranyl-6-methoxy-4-[(Z)-[3-[2-[(4-methylph...)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
Show InChI InChI=1S/C22H19ClN2O7S/c1-12-3-5-14(6-4-12)24-18(26)10-25-21(29)17(33-22(25)30)9-13-7-15(23)20(16(8-13)31-2)32-11-19(27)28/h3-9H,10-11H2,1-2H3,(H,24,26)(H,27,28)/b17-9-
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n/an/a 7.52E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51768
PNG
(2-[[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl...)
Show SMILES Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1
Show InChI InChI=1S/C20H16ClN5OS3/c21-15-7-5-13(6-8-15)11-28-19-25-26-20(30-19)29-12-18(27)24-23-10-14-9-22-17-4-2-1-3-16(14)17/h1-10,22H,11-12H2,(H,24,27)
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n/an/a 7.65E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 7.67E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 7.87E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46224
PNG
(2-[2-bromanyl-4-[(Z)-[2-[(4-ethylphenyl)amino]-4-o...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1
Show InChI InChI=1S/C21H19BrN2O5S/c1-3-12-4-6-14(7-5-12)23-21-24-20(27)17(30-21)10-13-8-15(22)19(16(9-13)28-2)29-11-18(25)26/h4-10H,3,11H2,1-2H3,(H,25,26)(H,23,24,27)
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n/an/a 8.45E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51779
PNG
((4E)-3,6-bis(bromanyl)-2-oxidanyl-4-[[(3-phenyl-5-...)
Show SMILES Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O
Show InChI InChI=1S/C15H10Br2N4O2S/c16-10-6-9(11(17)13(23)12(10)22)7-18-21-14(19-20-15(21)24)8-4-2-1-3-5-8/h1-7,22-23H,(H,20,24)
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n/an/a 9.03E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51271
PNG
((9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5...)
Show SMILES CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)
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n/an/a 9.65E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35362
PNG
(5-bromanyl-N-(3-cyano-1-phenyl-pyrrolo[3,2-b]quino...)
Show SMILES Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
Show InChI InChI=1S/C22H12BrN5O2/c23-18-11-10-17(30-18)22(29)27-20-14(12-24)19-21(28(20)13-6-2-1-3-7-13)26-16-9-5-4-8-15(16)25-19/h1-11H,(H,27,29)
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n/an/a 9.69E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35368
PNG
(2-amino-N-butyl-1-(3-methoxypropyl)-3-pyrrolo[3,2-...)
Show SMILES CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
Show InChI InChI=1S/C19H25N5O2/c1-3-4-10-21-19(25)15-16-18(24(17(15)20)11-7-12-26-2)23-14-9-6-5-8-13(14)22-16/h5-6,8-9H,3-4,7,10-12,20H2,1-2H3,(H,21,25)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34182
PNG
(3-anilino-2H-isoquinolin-1-one | 3-anilinoisocarbo...)
Show SMILES O=c1[nH]c(Nc2ccccc2)cc2ccccc12
Show InChI InChI=1S/C15H12N2O/c18-15-13-9-5-4-6-11(13)10-14(17-15)16-12-7-2-1-3-8-12/h1-10H,(H2,16,17,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32062
PNG
(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-2-3-13-27-20(26-22(28)15-9-5-4-6-10-15)16(14-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12H,2-3,13H2,1H3,(H,26,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53491
PNG
(6-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphe...)
Show SMILES COc1ccc(Cc2nn3c(nnc3s2)-c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C20H20N4O4S/c1-25-14-7-5-12(6-8-14)9-17-23-24-19(21-22-20(24)29-17)13-10-15(26-2)18(28-4)16(11-13)27-3/h5-8,10-11H,9H2,1-4H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35370
PNG
(MLS000040594 | SMR000045627 | cid_664626)
Show SMILES CC(=O)[C@@H]1[C@H]2[C@@H](C3N1C=Cc1ccccc31)C(=O)N(C2=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H16ClFN2O3/c1-11(27)19-17-18(20-14-5-3-2-4-12(14)8-9-25(19)20)22(29)26(21(17)28)13-6-7-16(24)15(23)10-13/h2-10,17-20H,1H3/t17-,18+,19-,20?/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32030
PNG
(2-chloranyl-N-(3-cyano-1-prop-2-enyl-pyrrolo[3,2-b...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
Show InChI InChI=1S/C21H14ClN5O/c1-2-11-27-19(26-21(28)13-7-3-4-8-15(13)22)14(12-23)18-20(27)25-17-10-6-5-9-16(17)24-18/h2-10H,1,11H2,(H,26,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35436
PNG
(1-[4-(difluoromethoxy)phenyl]-N-phenyl-methanimine...)
Show SMILES [O-]\[N+](=C/c1ccc(OC(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C14H11F2NO2/c15-14(16)19-13-8-6-11(7-9-13)10-17(18)12-4-2-1-3-5-12/h1-10,14H/b17-10-
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53490
PNG
((4E)-1-[3-(diethylamino)propyl]-4-[hydroxy(phenyl)...)
Show SMILES CCN(CC)CCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccccn1
Show InChI InChI=1S/C23H27N3O3/c1-3-25(4-2)15-10-16-26-20(18-13-8-9-14-24-18)19(22(28)23(26)29)21(27)17-11-6-5-7-12-17/h5-9,11-14,19-20H,3-4,10,15-16H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53488
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-chloranyl-10,13,...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53487
PNG
(2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmeth...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCCc1ccccc1)Cc1ccco1
Show InChI InChI=1S/C23H24FN3O5S/c24-19-8-10-21(11-9-19)33(30,31)26-15-23(29)27(16-20-7-4-14-32-20)17-22(28)25-13-12-18-5-2-1-3-6-18/h1-11,14,26H,12-13,15-17H2,(H,25,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35366
PNG
(4-(1,3-benzothiazol-2-yl)butanoic acid methyl este...)
Show SMILES COC(=O)CCCc1nc2ccccc2s1
Show InChI InChI=1S/C12H13NO2S/c1-15-12(14)8-4-7-11-13-9-5-2-3-6-10(9)16-11/h2-3,5-6H,4,7-8H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35435
PNG
(6-hydroxy-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-o...)
Show SMILES Oc1ccc2OC(=O)CC(c3ccccc3)c2c1
Show InChI InChI=1S/C15H12O3/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12,16H,9H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35358
PNG
(1-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-yl]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H25N3O4S/c1-15-3-5-16(6-4-15)21-20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-7-18(27-2)8-10-19/h3-10,17H,11-14H2,1-2H3,(H2,21,22,24)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35363
PNG
((2-butoxyphenyl)-(diphenylphosphorylmethyl)phosphi...)
Show SMILES CCCCOc1ccccc1P(O)(=O)CP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26O4P2/c1-2-3-18-27-22-16-10-11-17-23(22)29(25,26)19-28(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17H,2-3,18-19H2,1H3,(H,25,26)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53493
PNG
(2-[(4,6-dimethyl-2-pyridyl)carbamoylamino]benzoic ...)
Show SMILES COC(=O)c1ccccc1NC(=O)Nc1cc(C)cc(C)n1
Show InChI InChI=1S/C16H17N3O3/c1-10-8-11(2)17-14(9-10)19-16(21)18-13-7-5-4-6-12(13)15(20)22-3/h4-9H,1-3H3,(H2,17,18,19,21)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35439
PNG
((4-phenylphenyl)-[4-(2-pyridinylmethyl)-1-piperazi...)
Show SMILES O=C(N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3O/c27-23(21-11-9-20(10-12-21)19-6-2-1-3-7-19)26-16-14-25(15-17-26)18-22-8-4-5-13-24-22/h1-13H,14-18H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM30725
PNG
(MLS000079925 | N-[3-cyano-1-(4-methoxyphenyl)-2-py...)
Show SMILES COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H15N5O3/c1-30-15-10-8-14(9-11-15)28-21(27-23(29)19-7-4-12-31-19)16(13-24)20-22(28)26-18-6-3-2-5-17(18)25-20/h2-12H,1H3,(H,27,29)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM53486
PNG
(4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxylic ...)
Show SMILES CCOC(=O)c1cc2sccc2n1Cc1ccccc1
Show InChI InChI=1S/C16H15NO2S/c1-2-19-16(18)14-10-15-13(8-9-20-15)17(14)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 1.01E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 1.03E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50703
PNG
(3-[1-(3,4-Dihydroxy-phenyl)-meth-(E)-ylidene]-4-im...)
Show SMILES CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21
Show InChI InChI=1S/C18H13N3O5S2/c1-28(25,26)10-3-4-12-15(8-10)27-18-20-17(24)11(16(19)21(12)18)6-9-2-5-13(22)14(23)7-9/h2-8,23H,19H2,1H3/b9-6-
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n/an/a 1.13E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51778
PNG
(4-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)...)
Show SMILES OC(=O)C1CCC(CC1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C15H11Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-3-1-5(2-4-6)15(23)24/h5-6H,1-4H2,(H,23,24)
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n/an/a 1.13E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51766
PNG
(MLS000696984 | N'-[(E)-(5-methoxy-6-oxidanylidene-...)
Show SMILES COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C17H12N3O5S/c1-25-13-4-2-3-10(16(13)21)9-18-19-17(22)15-8-11-7-12(20(23)24)5-6-14(11)26-15/h2-9H,1H3,(H,19,22)/q-1/p+1/b18-9+
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n/an/a 1.16E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM50696
PNG
(3-[5-[(1-ketothiazolo[3,2-a]benzimidazol-2-ylidene...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-6-1-2-7-16(15)23(19)21)11-14-8-9-17(27-14)12-4-3-5-13(10-12)20(25)26/h1-11H,(H,25,26)
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n/an/a 1.18E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51787
PNG
(2-chloranyl-4-[5-[(1-oxidanylidene-[1,3]thiazolo[3...)
Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H11ClN2O4S/c22-14-9-11(5-7-13(14)20(26)27)17-8-6-12(28-17)10-18-19(25)24-16-4-2-1-3-15(16)23-21(24)29-18/h1-10H,(H,26,27)
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n/an/a 1.23E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35361
PNG
((5-oxidanidyl-4-thiophen-2-ylcarbonyl-1,2,5-oxadia...)
Show SMILES [O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
Show InChI InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H
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n/an/a 1.41E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34452
PNG
((4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
Show InChI InChI=1S/C15H18N4OS2/c1-17-7-9-18(10-8-17)14(20)12-13(16)19(15(21)22-12)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3
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n/an/a 1.58E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM34408
PNG
(4-amino-3-(4-methylphenyl)-5-[(4-methyl-1-piperazi...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
Show InChI InChI=1S/C16H20N4OS2/c1-11-3-5-12(6-4-11)20-14(17)13(23-16(20)22)15(21)19-9-7-18(2)8-10-19/h3-6H,7-10,17H2,1-2H3
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n/an/a 1.58E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%