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BDBM50146476 CHEMBL99995::N-Hydroxy-N-{1-(4-hydroxyimino-cyclohexylidenemethyl)-2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonyl]-ethyl}-formamide

SMILES: Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1

InChI Key: InChIKey=WRJBRPUQVWCVQK-HKWRFOASSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50146476   
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
Matrix metalloproteinase-17


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 4.50E+4n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 2n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE

Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 5.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 1.50E+4n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13

Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair