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BDBM50142296 CHEMBL3759910

SMILES: Cc1cc(cc(n1)C(=O)NCc1cccc(c1)C(F)(F)F)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1

InChI Key: InChIKey=HWGCORHLMQVWHJ-QAQDUYKDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50142296   
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))
BDBM50142296
PNG
(CHEMBL3759910)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1cccc(c1)C(F)(F)F)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1
Show InChI InChI=1S/C24H27F3N6O2/c1-15-9-19(22-30-32-33(31-22)13-16-5-7-17(14-34)8-6-16)11-21(29-15)23(35)28-12-18-3-2-4-20(10-18)24(25,26)27/h2-4,9-11,16-17,34H,5-8,12-14H2,1H3,(H,28,35)/t16-,17-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/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