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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50142600'   
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 3


(Homo sapiens (Human))		BDBM50142600
PNG
(CHEMBL3759952)
Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(CC3CCCCC3)n2)c1
Show InChI InChI=1S/C23H28N6O2/c1-16-11-19(22-26-28-29(27-22)15-17-7-4-3-5-8-17)13-21(25-16)23(30)24-14-18-9-6-10-20(12-18)31-2/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30)
PDB
MMDB

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Similars
Article
PubMed
 34n/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