Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50031791'   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50031791 ((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human fibroblast collagenase, matrix metalloproteinase-1				Bioorg Med Chem Lett 5: 343-348 (1995) Article DOI: 10.1016/0960-894X(95)00032-O BindingDB Entry DOI: 10.7270/Q2JH3M44
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50031791 ((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory potency against human fibroblast collagenase, MMP-1				J Med Chem 38: 2570-81 (1995) BindingDB Entry DOI: 10.7270/Q2GM86B5
					More data for this Ligand-Target Pair