Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50035629'   

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)	BDBM50035629 (CHEMBL105299 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C34H42N2O5/c1-33(2,3)41-32(40)35-28(20-24-15-9-6-10-16-24)29(37)21-26(19-23-13-7-5-8-14-23)31(39)36-34(4)27-18-12-11-17-25(27)22-30(34)38/h5-18,26,28-30,37-38H,19-22H2,1-4H3,(H,35,40)(H,36,39)/t26-,28+,29+,30-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease.				J Med Chem 43: 3020-32 (2000) BindingDB Entry DOI: 10.7270/Q2HM59P2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50035629 (CHEMBL105299 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C34H42N2O5/c1-33(2,3)41-32(40)35-28(20-24-15-9-6-10-16-24)29(37)21-26(19-23-13-7-5-8-14-23)31(39)36-34(4)27-18-12-11-17-25(27)22-30(34)38/h5-18,26,28-30,37-38H,19-22H2,1-4H3,(H,35,40)(H,36,39)/t26-,28+,29+,30-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of HIV-1 protease				J Med Chem 38: 305-17 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q23T9G8M
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50035629 (CHEMBL105299 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C34H42N2O5/c1-33(2,3)41-32(40)35-28(20-24-15-9-6-10-16-24)29(37)21-26(19-23-13-7-5-8-14-23)31(39)36-34(4)27-18-12-11-17-25(27)22-30(34)38/h5-18,26,28-30,37-38H,19-22H2,1-4H3,(H,35,40)(H,36,39)/t26-,28+,29+,30-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcal£ Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease.				J Med Chem 41: 836-52 (1998) Article DOI: 10.1021/jm970535b BindingDB Entry DOI: 10.7270/Q21R6RTN
					More data for this Ligand-Target Pair