Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM171378'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM171378 (US9085571, Table 1, Compound 26) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)Cc1csc(C)n1 |r| Show InChI InChI=1S/C35H42N4O6S2/c1-24(2)20-39(47(43,44)31-16-14-30(45-5)15-17-31)22-33(40)32(18-26-10-7-6-8-11-26)37-34(41)27-12-9-13-28(19-27)35(42)38(4)21-29-23-46-25(3)36-29/h6-17,19,23-24,32-33,40H,18,20-22H2,1-5H3,(H,37,41)/t32-,33+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...				US Patent US9085571 (2015) BindingDB Entry DOI: 10.7270/Q2N01590
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