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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50142270'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50142270
PNG
(CHEMBL3758441)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(c1)C(F)(F)F)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1
Show InChI InChI=1S/C24H26F4N6O2/c1-14-8-18(22-31-33-34(32-22)12-15-2-4-16(13-35)5-3-15)10-21(30-14)23(36)29-11-17-6-7-20(25)19(9-17)24(26,27)28/h6-10,15-16,35H,2-5,11-13H2,1H3,(H,29,36)/t15-,16-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.30n/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