Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50101530'   

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))	BDBM50101530 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES COc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C31H43N3O5/c1-39-27-17-15-24(16-18-27)13-8-14-26(22-29(35)34-38)30(36)33-28(21-25-11-6-3-7-12-25)31(37)32-20-19-23-9-4-2-5-10-23/h2,4-5,9-10,15-18,25-26,28,38H,3,6-8,11-14,19-22H2,1H3,(H,32,37)(H,33,36)(H,34,35)/t26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-3				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101530 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES COc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C31H43N3O5/c1-39-27-17-15-24(16-18-27)13-8-14-26(22-29(35)34-38)30(36)33-28(21-25-11-6-3-7-12-25)31(37)32-20-19-23-9-4-2-5-10-23/h2,4-5,9-10,15-18,25-26,28,38H,3,6-8,11-14,19-22H2,1H3,(H,32,37)(H,33,36)(H,34,35)/t26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the stromelysin enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair