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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 = 'BDBM50097269'   
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))		BDBM50097269
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](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H40F3N3O4/c1-22(24-13-7-5-8-14-24)38-32(43)30(33(2,3)4)39-31(42)26(21-29(41)40-44)17-11-12-23-18-19-27(25-15-9-6-10-16-25)28(20-23)34(35,36)37/h5-10,13-16,18-20,22,26,30,44H,11-12,17,21H2,1-4H3,(H,38,43)(H,39,42)(H,40,41)/t22-,26-,30-/m1/s1
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PubMed
n/an/a 5.20E+4n/an/an/an/an/an/a



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