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SMILES: OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=NOEGDKHKBSNSLW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50185878   
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))
BDBM50185878
PNG
(2-(4'-cyano-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3-...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18N2O6S/c26-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)34(32,33)22(25(30)31)13-14-27-23(28)20-3-1-2-4-21(20)24(27)29/h1-12,22H,13-14H2,(H,30,31)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50185878
PNG
(2-(4'-cyano-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3-...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18N2O6S/c26-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)34(32,33)22(25(30)31)13-14-27-23(28)20-3-1-2-4-21(20)24(27)29/h1-12,22H,13-14H2,(H,30,31)
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 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair