Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101502'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101502 (3-[(S)-3-Cyclohexyl-2-((S)-5-phenyl-2-phosphonomet...) Show SMILES OC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CP(O)(O)=O Show InChI InChI=1S/C24H37N2O7P/c27-22(28)14-15-25-24(30)21(16-19-10-5-2-6-11-19)26-23(29)20(17-34(31,32)33)13-7-12-18-8-3-1-4-9-18/h1,3-4,8-9,19-21H,2,5-7,10-17H2,(H,25,30)(H,26,29)(H,27,28)(H2,31,32,33)/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	46.5	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-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101502 (3-[(S)-3-Cyclohexyl-2-((S)-5-phenyl-2-phosphonomet...) Show SMILES OC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)CP(O)(O)=O Show InChI InChI=1S/C24H37N2O7P/c27-22(28)14-15-25-24(30)21(16-19-10-5-2-6-11-19)26-23(29)20(17-34(31,32)33)13-7-12-18-8-3-1-4-9-18/h1,3-4,8-9,19-21H,2,5-7,10-17H2,(H,25,30)(H,26,29)(H,27,28)(H2,31,32,33)/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	47	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 Gelatinase-A enzyme was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
					More data for this Ligand-Target Pair