Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50054182'   

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)	BDBM50054182 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(5-tri...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ccc(cn2)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccc(cn2)C(F)(F)F)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C47H40F6N6O5/c48-46(49,50)35-17-19-39(54-25-35)56-43(62)33-15-7-13-31(21-33)27-58-37(23-29-9-3-1-4-10-29)41(60)42(61)38(24-30-11-5-2-6-12-30)59(45(58)64)28-32-14-8-16-34(22-32)44(63)57-40-20-18-36(26-55-40)47(51,52)53/h1-22,25-26,37-38,41-42,60-61H,23-24,27-28H2,(H,54,56,62)(H,55,57,63)/t37-,38-,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50054182 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(5-tri...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ccc(cn2)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccc(cn2)C(F)(F)F)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C47H40F6N6O5/c48-46(49,50)35-17-19-39(54-25-35)56-43(62)33-15-7-13-31(21-33)27-58-37(23-29-9-3-1-4-10-29)41(60)42(61)38(24-30-11-5-2-6-12-30)59(45(58)64)28-32-14-8-16-34(22-32)44(63)57-40-20-18-36(26-55-40)47(51,52)53/h1-22,25-26,37-38,41-42,60-61H,23-24,27-28H2,(H,54,56,62)(H,55,57,63)/t37-,38-,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease				J Med Chem 42: 249-59 (1999) Article DOI: 10.1021/jm980369n BindingDB Entry DOI: 10.7270/Q2JM28TM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50054182 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(5-tri...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ccc(cn2)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccc(cn2)C(F)(F)F)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C47H40F6N6O5/c48-46(49,50)35-17-19-39(54-25-35)56-43(62)33-15-7-13-31(21-33)27-58-37(23-29-9-3-1-4-10-29)41(60)42(61)38(24-30-11-5-2-6-12-30)59(45(58)64)28-32-14-8-16-34(22-32)44(63)57-40-20-18-36(26-55-40)47(51,52)53/h1-22,25-26,37-38,41-42,60-61H,23-24,27-28H2,(H,54,56,62)(H,55,57,63)/t37-,38-,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity for HIV-1 protease				J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ
					More data for this Ligand-Target Pair