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BDBM50077432 CHEMBL294654::{(R)-2-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1,2,3,4-tetrahydro-isoquinolin-3-yl}-oxo-acetic acid

SMILES: OC(=O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=HRMWQQBRFJMAPM-OAQYLSRUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077432   
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))
BDBM50077432
PNG
(CHEMBL294654 | {(R)-2-[4-(4-Chloro-phenoxy)-benzen...)
Show SMILES OC(=O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H18ClNO6S/c24-17-5-7-18(8-6-17)31-19-9-11-20(12-10-19)32(29,30)25-14-16-4-2-1-3-15(16)13-21(25)22(26)23(27)28/h1-12,21H,13-14H2,(H,27,28)/t21-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase [Matrix Metalloprotease-8, MMP-8]


J Med Chem 42: 1908-20 (1999)


Article DOI: 10.1021/jm980631s
BindingDB Entry DOI: 10.7270/Q2251JV5
More data for this
Ligand-Target Pair