Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50161007'   

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))	BDBM50161007 (CHEMBL3792940) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)Nc1cccc(N)c1 |r| Show InChI InChI=1S/C26H33N5O3/c1-16(2)11-17(13-24(32)30-20-8-6-7-19(27)14-20)25(33)31-23(26(34)28-3)12-18-15-29-22-10-5-4-9-21(18)22/h4-10,14-17,23,29H,11-13,27H2,1-3H3,(H,28,34)(H,30,32)(H,31,33)/t17-,23+/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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition b...				Bioorg Med Chem Lett 26: 2174-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.064 BindingDB Entry DOI: 10.7270/Q2MW2K1D
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