Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM32417'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM32417 (furan-2-carboxamide deriv., 29) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc(C)n(C)n2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C25H31N5O4/c1-16-13-18(29-30(16)3)15-33-19-9-10-20(27-14-19)21-11-12-22(34-21)24(31)28-23(25(32)26-2)17-7-5-4-6-8-17/h9-14,17,23H,4-8,15H2,1-3H3,(H,26,32)(H,28,31)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
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