Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50325364'   

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))	BDBM50325364 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cn3ccccc3n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C29H31N5O4/c1-30-29(37)26(20-9-3-2-4-10-20)33-28(36)24-14-13-23(38-24)21-11-7-8-19(16-21)17-31-27(35)22-18-34-15-6-5-12-25(34)32-22/h5-8,11-16,18,20,26H,2-4,9-10,17H2,1H3,(H,30,37)(H,31,35)(H,33,36)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
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