Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pro polyprotein' and Ligand = 'BDBM50371716'   

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
Gag-Pro polyprotein (Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)	BDBM50371716 (CHEMBL258157 | KNI-10401) Show SMILES CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)C1C(=O)NCc1cccc(I)c1)C(C)(C)C)c1ccccc1 |w:30.32| Show InChI InChI=1S/C39H48IN5O6S/c1-24(46)42-30(27-17-11-8-12-18-27)34(48)44-32(38(2,3)4)35(49)43-29(21-25-14-9-7-10-15-25)31(47)37(51)45-23-52-39(5,6)33(45)36(50)41-22-26-16-13-19-28(40)20-26/h7-20,29-33,47H,21-23H2,1-6H3,(H,41,50)(H,42,46)(H,43,49)(H,44,48)/t29-,30-,31-,32+,33?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS				Bioorg Med Chem Lett 18: 366-70 (2008) Article DOI: 10.1016/j.bmcl.2007.10.066 BindingDB Entry DOI: 10.7270/Q2N58N78
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