Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM50461437'   

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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50461437 (CHEMBL4226454) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCN(C(C)C)C(C)C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r,t:32| Show InChI InChI=1S/C45H70N2O2/c1-29(2)34-18-23-45(28-46-26-27-47(30(3)4)31(5)6)25-24-43(10)36(39(34)45)16-17-38-42(9)21-19-35(32-12-14-33(15-13-32)40(48)49)41(7,8)37(42)20-22-44(38,43)11/h12-15,19,30-31,34,36-39,46H,1,16-18,20-28H2,2-11H3,(H,48,49)/t34-,36+,37-,38+,39+,42-,43+,44+,45+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to CA-SP1 P373S/V370A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...				Bioorg Med Chem Lett 28: 1550-1557 (2018) Article DOI: 10.1016/j.bmcl.2018.03.067 BindingDB Entry DOI: 10.7270/Q29G5QFN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50461437 (CHEMBL4226454) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCN(C(C)C)C(C)C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r,t:32| Show InChI InChI=1S/C45H70N2O2/c1-29(2)34-18-23-45(28-46-26-27-47(30(3)4)31(5)6)25-24-43(10)36(39(34)45)16-17-38-42(9)21-19-35(32-12-14-33(15-13-32)40(48)49)41(7,8)37(42)20-22-44(38,43)11/h12-15,19,30-31,34,36-39,46H,1,16-18,20-28H2,2-11H3,(H,48,49)/t34-,36+,37-,38+,39+,42-,43+,44+,45+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...				Bioorg Med Chem Lett 28: 1550-1557 (2018) Article DOI: 10.1016/j.bmcl.2018.03.067 BindingDB Entry DOI: 10.7270/Q29G5QFN
					More data for this Ligand-Target Pair