Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM50461438'   

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...)	BDBM50461438 (CHEMBL4226921) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCN(CC)CC)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:30| Show InChI InChI=1S/C43H66N2O2/c1-10-45(11-2)27-26-44-28-43-23-18-32(29(3)4)37(43)34-16-17-36-40(7)21-19-33(30-12-14-31(15-13-30)38(46)47)39(5,6)35(40)20-22-42(36,9)41(34,8)24-25-43/h12-15,19,32,34-37,44H,3,10-11,16-18,20-28H2,1-2,4-9H3,(H,46,47)/t32-,34+,35-,36+,37+,40-,41+,42+,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	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...)	BDBM50461438 (CHEMBL4226921) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCN(CC)CC)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:30| Show InChI InChI=1S/C43H66N2O2/c1-10-45(11-2)27-26-44-28-43-23-18-32(29(3)4)37(43)34-16-17-36-40(7)21-19-33(30-12-14-31(15-13-30)38(46)47)39(5,6)35(40)20-22-42(36,9)41(34,8)24-25-43/h12-15,19,32,34-37,44H,3,10-11,16-18,20-28H2,1-2,4-9H3,(H,46,47)/t32-,34+,35-,36+,37+,40-,41+,42+,43+/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	4.30	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