Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50283727'   

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)	BDBM50283727 ((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45N5O4S2/c1-36(2,3)39-34(45)30-22-40(21-28-17-25-10-14-46-35(25)47-28)12-13-41(30)20-27(42)16-26(15-23-7-6-11-37-19-23)33(44)38-32-29-9-5-4-8-24(29)18-31(32)43/h4-11,14,17,19,26-27,30-32,42-43H,12-13,15-16,18,20-22H2,1-3H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50283727 ((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45N5O4S2/c1-36(2,3)39-34(45)30-22-40(21-28-17-25-10-14-46-35(25)47-28)12-13-41(30)20-27(42)16-26(15-23-7-6-11-37-19-23)33(44)38-32-29-9-5-4-8-24(29)18-31(32)43/h4-11,14,17,19,26-27,30-32,42-43H,12-13,15-16,18,20-22H2,1-3H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Immunodeficiency virus-1 protease				Bioorg Med Chem Lett 4: 2769-2774 (1994) Article DOI: 10.1016/S0960-894X(01)80592-8 BindingDB Entry DOI: 10.7270/Q25B02F8
					More data for this Ligand-Target Pair