Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50491912'   

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))	BDBM50491912 (CHEMBL2385445) Show SMILES CC(C)COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C28H29N3O6S/c1-18(2)17-37-22-11-7-19(8-12-22)27(32)30-21-9-13-23(14-10-21)38(35,36)31-26(28(33)34)15-20-16-29-25-6-4-3-5-24(20)25/h3-14,16,18,26,29,31H,15,17H2,1-2H3,(H,30,32)(H,33,34)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate measured up to 120 mins by fluorescence assay				J Med Chem 56: 4912-20 (2013) Article DOI: 10.1021/jm400156p BindingDB Entry DOI: 10.7270/Q2959MHQ
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