Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50097246'   

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))	BDBM50097246 ((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(O)=O)C(C)(C)C Show InChI InChI=1S/C20H30N2O4/c1-20(2,3)17(19(26)21-4)22-18(25)15(13-16(23)24)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50097246 ((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(O)=O)C(C)(C)C Show InChI InChI=1S/C20H30N2O4/c1-20(2,3)17(19(26)21-4)22-18(25)15(13-16(23)24)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Ability to inhibit the matrix metalloprotease-2 by method of Knight et al using the fluorogenic peptide substrate.				Bioorg Med Chem Lett 11: 567-70 (2001) BindingDB Entry DOI: 10.7270/Q2610ZK1
					More data for this Ligand-Target Pair