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BDBM50082438 CHEMBL141674::Oxo-[2-(4-phenoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinolin-3-yl]-acetic acid

SMILES: OC(=O)C(=O)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=PZNZBFBEAZCEQK-UHFFFAOYNA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50082438   
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-8 (MMP-8)


(Homo sapiens (Human))
BDBM50082438
PNG
(CHEMBL141674 | Oxo-[2-(4-phenoxy-benzenesulfonyl)-...)
Show SMILES OC(=O)C(=O)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C23H19NO6S/c25-22(23(26)27)21-14-16-6-4-5-7-17(16)15-24(21)31(28,29)20-12-10-19(11-13-20)30-18-8-2-1-3-9-18/h1-13,21H,14-15H2,(H,26,27)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against human matrix metalloproteinase-8 (human neutrophil collagenase, MMP-8)


J Med Chem 42: 4506-23 (1999)


Article DOI: 10.1021/jm990250u
BindingDB Entry DOI: 10.7270/Q22J6B22
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082438
PNG
(CHEMBL141674 | Oxo-[2-(4-phenoxy-benzenesulfonyl)-...)
Show SMILES OC(=O)C(=O)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C23H19NO6S/c25-22(23(26)27)21-14-16-6-4-5-7-17(16)15-24(21)31(28,29)20-12-10-19(11-13-20)30-18-8-2-1-3-9-18/h1-13,21H,14-15H2,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human matrix metalloproteinase-3 (MMP-3)


J Med Chem 42: 4506-23 (1999)


Article DOI: 10.1021/jm990250u
BindingDB Entry DOI: 10.7270/Q22J6B22
More data for this
Ligand-Target Pair