Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50422050'   

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)	BDBM50422050 (CHEMBL106530) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C40H55N5O4/c1-26(2)36(39(49)42-35-20-19-28-15-11-12-18-33(28)41-35)43-37(47)31(21-27-13-7-6-8-14-27)22-32(46)25-45-24-30-17-10-9-16-29(30)23-34(45)38(48)44-40(3,4)5/h6-8,11-15,18-20,26,29-32,34,36,46H,9-10,16-17,21-25H2,1-5H3,(H,43,47)(H,44,48)(H,41,42,49)/t29-,30+,31+,32-,34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50422050 (CHEMBL106530) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C40H55N5O4/c1-26(2)36(39(49)42-35-20-19-28-15-11-12-18-33(28)41-35)43-37(47)31(21-27-13-7-6-8-14-27)22-32(46)25-45-24-30-17-10-9-16-29(30)23-34(45)38(48)44-40(3,4)5/h6-8,11-15,18-20,26,29-32,34,36,46H,9-10,16-17,21-25H2,1-5H3,(H,43,47)(H,44,48)(H,41,42,49)/t29-,30+,31+,32-,34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	53	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 was determined in vitro				J Med Chem 38: 305-17 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q23T9G8M
					More data for this Ligand-Target Pair