Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM1938'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1938 ((2S,3R)-2-({3-[1-(4-hydroxy-2-oxo-2H-chromen-3-yl)...) Show SMILES CCC(C)[C@H](NC(=O)c1cccc(c1)C(CC)c1c(O)c2ccccc2oc1=O)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C31H33N3O5/c1-4-19(3)27(30(37)33-18-22-13-8-9-16-32-22)34-29(36)21-12-10-11-20(17-21)23(5-2)26-28(35)24-14-6-7-15-25(24)39-31(26)38/h6-17,19,23,27,35H,4-5,18H2,1-3H3,(H,33,37)(H,34,36)/t19?,23?,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	-36.2	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 3624-37 (1995) Article DOI: 10.1021/jm00018a023 BindingDB Entry DOI: 10.7270/Q22B8W65
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