Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM326'   

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)	BDBM326 ((3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]...) Show SMILES CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(=O)NC)S2(=O)=O)c1 |r| Show InChI InChI=1S/C36H40N4O8S/c1-37-35(43)27-13-9-11-25(19-27)21-39-31(23-47-29-15-5-3-6-16-29)33(41)34(42)32(24-48-30-17-7-4-8-18-30)40(49(39,45)46)22-26-12-10-14-28(20-26)36(44)38-2/h3-20,31-34,41-42H,21-24H2,1-2H3,(H,37,43)(H,38,44)/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	675	n/a	n/a	4.99E+5	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM326 ((3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]...) Show SMILES CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(=O)NC)S2(=O)=O)c1 |r| Show InChI InChI=1S/C36H40N4O8S/c1-37-35(43)27-13-9-11-25(19-27)21-39-31(23-47-29-15-5-3-6-16-29)33(41)34(42)32(24-48-30-17-7-4-8-18-30)40(49(39,45)46)22-26-12-10-14-28(20-26)36(44)38-2/h3-20,31-34,41-42H,21-24H2,1-2H3,(H,37,43)(H,38,44)/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.263	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair