Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50395675'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50395675 (CHEMBL2164094) Show SMILES CCCNc1nc(NCc2cn(C)cn2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1 |r| Show InChI InChI=1S/C25H37N9O2S/c1-4-7-19-9-11-22(12-10-19)37(35,36)29-16-21-8-6-14-34(21)25-31-23(26-13-5-2)30-24(32-25)27-15-20-17-33(3)18-28-20/h9-12,17-18,21,29H,4-8,13-16H2,1-3H3,(H2,26,27,30,31,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins				J Med Chem 55: 7061-79 (2012) Article DOI: 10.1021/jm300449x BindingDB Entry DOI: 10.7270/Q2RX9D6T
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