Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50040601'   

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))	BDBM50040601 ((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C31H38N4O5/c1-20(2)17-26(30(38)35-27(29(37)32-3)18-21-9-5-4-6-10-21)34-25(31(39)40)15-16-33-28(36)24-14-13-22-11-7-8-12-23(22)19-24/h4-14,19-20,25-27,34H,15-18H2,1-3H3,(H,32,37)(H,33,36)(H,35,38)(H,39,40)/t25-,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Incorporated Research Institute Curated by ChEMBL					Assay Description Activity against human stromelysin (MMP-3).				J Med Chem 37: 674-88 (1994) BindingDB Entry DOI: 10.7270/Q2RV0MRC
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