Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50119284'   

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))	BDBM50119284 (CHEMBL3617403) Show SMILES CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...				J Med Chem 58: 7224-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00367 BindingDB Entry DOI: 10.7270/Q2DV1MPR
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