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BDBM50082465 CHEMBL335118::[2-(2-Biphenyl-4-yl-ethanesulfonyl)-1,2,3,4-tetrahydro-isoquinolin-3-yl]-oxo-acetic acid

SMILES: OC(=O)C(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=XTRJAENNSAJIAU-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50082465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50082465
PNG
(CHEMBL335118 | [2-(2-Biphenyl-4-yl-ethanesulfonyl)...)
Show SMILES OC(=O)C(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23NO5S/c27-24(25(28)29)23-16-21-8-4-5-9-22(21)17-26(23)32(30,31)15-14-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,23H,14-17H2,(H,28,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 50n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50082465
PNG
(CHEMBL335118 | [2-(2-Biphenyl-4-yl-ethanesulfonyl)...)
Show SMILES OC(=O)C(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23NO5S/c27-24(25(28)29)23-16-21-8-4-5-9-22(21)17-26(23)32(30,31)15-14-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,23H,14-17H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 20n/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