Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM240815'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
72 kDa type IV collagenase (Sus scrofa (Pig))	BDBM240815 ((2S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanam...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)12(15(20)21)17-14(19)13(18)11(16)10-7-5-4-6-8-10/h4-9,11-13,18H,3,16H2,1-2H3,(H,17,19)(H,20,21)/t9?,11-,12-,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shan Dong University					Assay Description Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...				J Enzyme Inhib Med Chem 28: 545-51 (2013) Article DOI: 10.3109/14756366.2012.656622 BindingDB Entry DOI: 10.7270/Q24J0D1S
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