Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50282499'   

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-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282499 (Bis-((R)-1-{(S)-3-methyl-2-[(S)-3-(2-methyl-propan...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@H](Cc1ccccc1)P(O)(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C62H79N4O10PS2/c1-41(2)55(65-57(67)49(39-78(73,74)61(5,6)7)37-47-31-21-29-45-27-17-19-33-51(45)47)59(69)63-53(35-43-23-13-11-14-24-43)77(71,72)54(36-44-25-15-12-16-26-44)64-60(70)56(42(3)4)66-58(68)50(40-79(75,76)62(8,9)10)38-48-32-22-30-46-28-18-20-34-52(46)48/h11-34,41-42,49-50,53-56H,35-40H2,1-10H3,(H,63,69)(H,64,70)(H,65,67)(H,66,68)(H,71,72)/t49-,50-,53+,54+,55+,56+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity if the compound was determined against HIV protease				Bioorg Med Chem Lett 4: 1191-1194 (1994) Article DOI: 10.1016/S0960-894X(01)80327-9 BindingDB Entry DOI: 10.7270/Q28G8KM2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282499 (Bis-((R)-1-{(S)-3-methyl-2-[(S)-3-(2-methyl-propan...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@H](Cc1ccccc1)P(O)(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C62H79N4O10PS2/c1-41(2)55(65-57(67)49(39-78(73,74)61(5,6)7)37-47-31-21-29-45-27-17-19-33-51(45)47)59(69)63-53(35-43-23-13-11-14-24-43)77(71,72)54(36-44-25-15-12-16-26-44)64-60(70)56(42(3)4)66-58(68)50(40-79(75,76)62(8,9)10)38-48-32-22-30-46-28-18-20-34-52(46)48/h11-34,41-42,49-50,53-56H,35-40H2,1-10H3,(H,63,69)(H,64,70)(H,65,67)(H,66,68)(H,71,72)/t49-,50-,53+,54+,55+,56+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity if the compound was determined against HIV protease				Bioorg Med Chem Lett 4: 1191-1194 (1994) Article DOI: 10.1016/S0960-894X(01)80327-9 BindingDB Entry DOI: 10.7270/Q28G8KM2
					More data for this Ligand-Target Pair