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BDBM50350597 CHEMBL1812964

SMILES: Cc1ccc(C(=O)N2CCCN(CC2)C2(C(=O)NC(=O)NC2=O)c2ccc(Oc3ccccc3)cc2)c(NS(C)(=O)=O)c1

InChI Key: InChIKey=FOAPZIUAOJQVMW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50350597   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50350597
PNG
(CHEMBL1812964)
Show SMILES Cc1ccc(C(=O)N2CCCN(CC2)C2(C(=O)NC(=O)NC2=O)c2ccc(Oc3ccccc3)cc2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C30H31N5O7S/c1-20-9-14-24(25(19-20)33-43(2,40)41)26(36)34-15-6-16-35(18-17-34)30(27(37)31-29(39)32-28(30)38)21-10-12-23(13-11-21)42-22-7-4-3-5-8-22/h3-5,7-14,19,33H,6,15-18H2,1-2H3,(H2,31,32,37,38,39)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 142n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...


Bioorg Med Chem 19: 4985-99 (2011)


Article DOI: 10.1016/j.bmc.2011.06.055
BindingDB Entry DOI: 10.7270/Q2RJ4JV9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50350597
PNG
(CHEMBL1812964)
Show SMILES Cc1ccc(C(=O)N2CCCN(CC2)C2(C(=O)NC(=O)NC2=O)c2ccc(Oc3ccccc3)cc2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C30H31N5O7S/c1-20-9-14-24(25(19-20)33-43(2,40)41)26(36)34-15-6-16-35(18-17-34)30(27(37)31-29(39)32-28(30)38)21-10-12-23(13-11-21)42-22-7-4-3-5-8-22/h3-5,7-14,19,33H,6,15-18H2,1-2H3,(H2,31,32,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...


Bioorg Med Chem 19: 4985-99 (2011)


Article DOI: 10.1016/j.bmc.2011.06.055
BindingDB Entry DOI: 10.7270/Q2RJ4JV9
More data for this
Ligand-Target Pair