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SMILES: COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1

InChI Key: InChIKey=QAFRSDWNZLQCBN-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50106131   
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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50106131
PNG
(CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)
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n/an/a 343n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-1.

Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50106131
PNG
(CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)
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n/an/a 3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-13.

Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50106131
PNG
(CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)
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n/an/a 49n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of TNF-alpha converting enzyme.

Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50106131
PNG
(CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)
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n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-9.

Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
More data for this
Ligand-Target Pair