Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50320425'   

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))	BDBM50320425 (4-(4-(4-(3,5-dimethylpiperazine-1-carbonyl)piperid...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CC(C)NC(C)C1 Show InChI InChI=1S/C27H43N5O6S/c1-20-18-32(19-21(2)28-20)25(33)22-8-12-31(13-9-22)23-4-6-24(7-5-23)39(36,37)27(26(34)29-35)10-14-30(15-11-27)16-17-38-3/h4-7,20-22,28,35H,8-19H2,1-3H3,(H,29,34)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Research& Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4
					More data for this Ligand-Target Pair