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BDBM50305846 CHEMBL596522::trans-4-((5-(2-(benzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid

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

InChI Key: InChIKey=KRIHEVNEOOHLQA-IYARVYRRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305846   
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))
BDBM50305846
PNG
(CHEMBL596522 | trans-4-((5-(2-(benzylcarbamoyl)-6-...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccccc1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1
Show InChI InChI=1S/C23H26N6O3/c1-15-11-19(12-20(25-15)22(30)24-13-16-5-3-2-4-6-16)21-26-28-29(27-21)14-17-7-9-18(10-8-17)23(31)32/h2-6,11-12,17-18H,7-10,13-14H2,1H3,(H,24,30)(H,31,32)/t17-,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair