Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50156906'   

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)	BDBM50156906 (CHEMBL375050 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C51H81N7O12/c1-28(2)25-37(46(61)57-44(32(9)10)50(65)67-13)53-48(63)42(30(5)6)55-39(59)17-15-23-69-35-21-19-34-20-22-41(52-36(34)27-35)70-24-16-18-40(60)56-43(31(7)8)49(64)54-38(26-29(3)4)47(62)58-45(33(11)12)51(66)68-14/h19-22,27-33,37-38,42-45H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t37-,38-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156906 (CHEMBL375050 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C51H81N7O12/c1-28(2)25-37(46(61)57-44(32(9)10)50(65)67-13)53-48(63)42(30(5)6)55-39(59)17-15-23-69-35-21-19-34-20-22-41(52-36(34)27-35)70-24-16-18-40(60)56-43(31(7)8)49(64)54-38(26-29(3)4)47(62)58-45(33(11)12)51(66)68-14/h19-22,27-33,37-38,42-45H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t37-,38-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair