Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50109708'   

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)	BDBM50109708 ((S)-4-Benzooxazol-2-ylmethyl-1-[(2S,4R)-2-hydroxy-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)31-23-42(24-34-39-30-15-9-10-16-33(30)48-34)17-18-43(31)22-28(44)20-27(19-25-11-5-4-6-12-25)36(46)40-35-29-14-8-7-13-26(29)21-32(35)45/h4-16,27-28,31-32,35,44-45H,17-24H2,1-3H3,(H,40,46)(H,41,47)/t27-,28+,31+,32-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109708 ((S)-4-Benzooxazol-2-ylmethyl-1-[(2S,4R)-2-hydroxy-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)31-23-42(24-34-39-30-15-9-10-16-33(30)48-34)17-18-43(31)22-28(44)20-27(19-25-11-5-4-6-12-25)36(46)40-35-29-14-8-7-13-26(29)21-32(35)45/h4-16,27-28,31-32,35,44-45H,17-24H2,1-3H3,(H,40,46)(H,41,47)/t27-,28+,31+,32-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair