Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50156142'   

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)	BDBM50156142 (1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...) Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)C1=CC=[S+]C1)C(=O)NC(=O)[C@@H](C)C(C)C |c:27,t:25| Show InChI InChI=1S/C28H38N2O8S/c1-14(2)16(5)25(34)29-27(36)23(33)21(31)22(32)24(28(37)30-26(35)17(6)15(3)4)38-20-9-7-18(8-10-20)19-11-12-39-13-19/h7-12,14-17,21-24,31-32H,13H2,1-6H3,(H,29,34,36)(H,30,35,37)/t16-,17-,21+,22+,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition constant for human immunodeficiency virus type 1 protease				J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156142 (1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...) Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)C1=CC=[S+]C1)C(=O)NC(=O)[C@@H](C)C(C)C |c:27,t:25| Show InChI InChI=1S/C28H38N2O8S/c1-14(2)16(5)25(34)29-27(36)23(33)21(31)22(32)24(28(37)30-26(35)17(6)15(3)4)38-20-9-7-18(8-10-20)19-11-12-39-13-19/h7-12,14-17,21-24,31-32H,13H2,1-6H3,(H,29,34,36)(H,30,35,37)/t16-,17-,21+,22+,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.04	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity for human immunodeficiency virus type 1 protease				J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV
					More data for this Ligand-Target Pair