Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50099118'   

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))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against matrix metalloprotease 2				Bioorg Med Chem Lett 15: 2970-3 (2005) Article DOI: 10.1016/j.bmcl.2005.04.039 BindingDB Entry DOI: 10.7270/Q2028R2B
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair