Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50320444'   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50320444 (1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...) Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Research& Development Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4
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