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BDBM50142437 CHEMBL3758508

SMILES: Cc1cc(cc(n1)C(=O)NCc1ccccc1)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1

InChI Key: InChIKey=IOLQWWQWOFCGIH-WGSAOQKQSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50142437   
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


(Homo sapiens (Human))
BDBM50142437
PNG
(CHEMBL3758508)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccccc1)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1
Show InChI InChI=1S/C23H28N6O2/c1-16-11-20(12-21(25-16)23(31)24-13-17-5-3-2-4-6-17)22-26-28-29(27-22)14-18-7-9-19(15-30)10-8-18/h2-6,11-12,18-19,30H,7-10,13-15H2,1H3,(H,24,31)/t18-,19-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
119n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe...


J Med Chem 59: 313-27 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01434
BindingDB Entry DOI: 10.7270/Q20G3N0F
More data for this
Ligand-Target Pair