Compile Data Set for Download or QSAR

Found 8 hits of kd for UniProtKB: P04585   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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...)	BDBM231619 (GSK5750) Show SMILES On1c2ncccc2c(NCc2cc3ccccc3s2)nc1=O Show InChI InChI=1S/C16H12N4O2S/c21-16-19-14(12-5-3-7-17-15(12)20(16)22)18-9-11-8-10-4-1-2-6-13(10)23-11/h1-8,22H,9H2,(H,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	387	n/a	n/a	n/a	7.8	n/a
McGill University					Assay Description In this case, 1 μM HIV-1 RT was added to 50 mM Tris-HCl (pH 7.8), 50 mM NaCl, 6 mM MgCl2, and varying concentrations of GSK5750 to form enzyme-i...				J Biol Chem 289: 16270-7 (2014) Article DOI: 10.1074/jbc.M114.569707 BindingDB Entry DOI: 10.7270/Q2MW2G0Q
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50450015 (Bms-955176 | GSK-3532795) Show SMILES [H][C@]12[C@@H](CC[C@@]1(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)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to HIV1 gag polyprotein A364V mutant containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50450015 (Bms-955176 | GSK-3532795) Show SMILES [H][C@]12[C@@H](CC[C@@]1(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)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to HIV1 gag polyprotein V362I mutant containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50450016 (CHEMBL4163247) Show SMILES [H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26?,28+,33-,34+,35+,36?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to HIV1 gag polyprotein delta V370 mutant containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50450015 (Bms-955176 | GSK-3532795) Show SMILES [H][C@]12[C@@H](CC[C@@]1(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)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to HIV1 gag polyprotein V370A mutant containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50450016 (CHEMBL4163247) Show SMILES [H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26?,28+,33-,34+,35+,36?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to HIV1 gag polyprotein V370A mutant containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50450015 (Bms-955176 | GSK-3532795) Show SMILES [H][C@]12[C@@H](CC[C@@]1(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)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to HIV1 gag polyprotein delta V370 mutant containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50450016 (CHEMBL4163247) Show SMILES [H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26?,28+,33-,34+,35+,36?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to HIV1 gag polyprotein V362I mutant containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair