Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50400546'   

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))	BDBM50400546 (CHEMBL2204945) Show SMILES COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1 |r| Show InChI InChI=1S/C14H21N3O4/c1-9(2)8-12(13(18)17-20)16-14(19)15-10-4-6-11(21-3)7-5-10/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant MMP-2 using succinylated gelatin as substrate incubated for 10 mins before addition of substrate measured after 60 mins by ...				ACS Med Chem Lett 3: 959-964 (2012) Article DOI: 10.1021/ml3000758 BindingDB Entry DOI: 10.7270/Q2QJ7JFR
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