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BDBM50372633 CHEMBL270502

SMILES: COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1

InChI Key: InChIKey=WMRPTLRLGQOISA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372633   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50372633
PNG
(CHEMBL270502)
Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1
Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.61n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50372633
PNG
(CHEMBL270502)
Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1
Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair