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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50142271'   
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))
BDBM50142271
PNG
(CHEMBL3759011)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(C)c1)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1
Show InChI InChI=1S/C24H29FN6O2/c1-15-9-19(7-8-21(15)25)12-26-24(33)22-11-20(10-16(2)27-22)23-28-30-31(29-23)13-17-3-5-18(14-32)6-4-17/h7-11,17-18,32H,3-6,12-14H2,1-2H3,(H,26,33)/t17-,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.80n/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