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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50097265'   
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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50097265
PNG
((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C32H38FN3O4/c1-21(23-8-6-5-7-9-23)34-31(39)29(32(2,3)4)35-30(38)26(20-28(37)36-40)15-12-22-10-13-24(14-11-22)25-16-18-27(33)19-17-25/h5-11,13-14,16-19,21,26,29,40H,12,15,20H2,1-4H3,(H,34,39)(H,35,38)(H,36,37)/t21-,26-,29-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.

Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair