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

InChI Key: InChIKey=FMQWWPFJFLUCHZ-UHFFFAOYSA-N

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 4 hits for monomerid = 50106140   
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-9


(Homo sapiens (Human))		BDBM50106140
PNG
(4-{5-Bromo-3-hydroxycarbamoyl-2-[(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C25H33BrN4O7S/c1-25(2,3)37-24(32)30-12-10-29(11-13-30)16-17-14-18(26)15-21(23(31)27-33)22(17)28(4)38(34,35)20-8-6-19(36-5)7-9-20/h6-9,14-15,33H,10-13,16H2,1-5H3,(H,27,31)
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n/an/a 7n/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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50106140
PNG
(4-{5-Bromo-3-hydroxycarbamoyl-2-[(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C25H33BrN4O7S/c1-25(2,3)37-24(32)30-12-10-29(11-13-30)16-17-14-18(26)15-21(23(31)27-33)22(17)28(4)38(34,35)20-8-6-19(36-5)7-9-20/h6-9,14-15,33H,10-13,16H2,1-5H3,(H,27,31)
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n/an/a 674n/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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50106140
PNG
(4-{5-Bromo-3-hydroxycarbamoyl-2-[(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C25H33BrN4O7S/c1-25(2,3)37-24(32)30-12-10-29(11-13-30)16-17-14-18(26)15-21(23(31)27-33)22(17)28(4)38(34,35)20-8-6-19(36-5)7-9-20/h6-9,14-15,33H,10-13,16H2,1-5H3,(H,27,31)
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n/an/a 63n/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
Collagenase 3


(Homo sapiens (Human))		BDBM50106140
PNG
(4-{5-Bromo-3-hydroxycarbamoyl-2-[(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C25H33BrN4O7S/c1-25(2,3)37-24(32)30-12-10-29(11-13-30)16-17-14-18(26)15-21(23(31)27-33)22(17)28(4)38(34,35)20-8-6-19(36-5)7-9-20/h6-9,14-15,33H,10-13,16H2,1-5H3,(H,27,31)
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n/an/a 6n/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