Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50031252'   

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
Furin (Homo sapiens (Human))	BDBM50031252 ((S)-5-{(S)-6-Amino-2-[(S)-2-((S)-2-decylamino-5-gu...) Show SMILES CCCCCCCCCCN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCC(=O)OC Show InChI InChI=1S/C37H73N11O6/c1-5-6-7-8-9-10-11-14-23-43-28(19-16-25-45-37(41)42)33(51)48-32(26(2)3)35(53)47-29(17-12-13-22-38)34(52)46-27(18-15-24-44-36(39)40)30(49)20-21-31(50)54-4/h26-29,32,43H,5-25,38H2,1-4H3,(H,46,52)(H,47,53)(H,48,51)(H4,39,40,44)(H4,41,42,45)/t27-,28-,29-,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher-Institut Curated by ChEMBL					Assay Description Inhibitory activity of the compound against furin				J Med Chem 38: 4014-8 (1995) BindingDB Entry DOI: 10.7270/Q2JH3K6M
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