Compile Data Set for Download or QSAR

Found 10 hits of ki for UniProtKB: P03369   

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
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM798 ((2R)-2-[(7S,10S,13S)-7-amino-10-butyl-8,11-dioxo-2...) Show SMILES CCCC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2 |r| Show InChI InChI=1S/C33H51N5O6S/c1-4-5-9-29-33(41)37-30(21-24-10-14-26(15-11-24)44-20-7-6-8-28(35)32(40)36-29)31(39)22-38(19-18-23(2)3)45(42,43)27-16-12-25(34)13-17-27/h10-17,23,28-31,39H,4-9,18-22,34-35H2,1-3H3,(H,36,40)(H,37,41)/t28-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.310	-13.5	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM797 ((2S)-N-[(7S,10S,13S)-13-[(1R)-2-[(4-aminobenzene)(...) Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H56N6O9S/c1-23(2)17-18-43(53(50,51)29-15-11-27(38)12-16-29)21-33(46)31-20-26-9-13-28(14-10-26)52-19-7-6-8-30(40-36(48)32(22-44)39-25(5)45)35(47)42-34(24(3)4)37(49)41-31/h9-16,23-24,30-34,44,46H,6-8,17-22,38H2,1-5H3,(H,39,45)(H,40,48)(H,41,49)(H,42,47)/t30-,31-,32-,33+,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.340	-13.4	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM795 ((2R)-2-[(7S,10S,13S)-7-amino-8,11-dioxo-10-(propan...) Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C32H49N5O6S/c1-21(2)16-17-37(44(41,42)26-14-10-24(33)11-15-26)20-29(38)28-19-23-8-12-25(13-9-23)43-18-6-5-7-27(34)31(39)36-30(22(3)4)32(40)35-28/h8-15,21-22,27-30,38H,5-7,16-20,33-34H2,1-4H3,(H,35,40)(H,36,39)/t27-,28-,29+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	-12.8	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM796 (Macrocycle-containing Compound 9b | tert-butyl N-[...) Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(NC(C)=O)cc1 |r| Show InChI InChI=1S/C39H59N5O9S/c1-25(2)20-21-44(54(50,51)31-18-14-29(15-19-31)40-27(5)45)24-34(46)33-23-28-12-16-30(17-13-28)52-22-10-9-11-32(42-38(49)53-39(6,7)8)36(47)43-35(26(3)4)37(48)41-33/h12-19,25-26,32-35,46H,9-11,20-24H2,1-8H3,(H,40,45)(H,41,48)(H,42,49)(H,43,47)/t32-,33-,34+,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-12.3	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM800 (Macrocycle-containing Compound 9f | N-[(7S,10S,13S...) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2)NC(C)=O |r| Show InChI InChI=1S/C35H53N5O7S/c1-5-6-9-31-35(44)39-32(33(42)23-40(20-19-24(2)3)48(45,46)29-17-13-27(36)14-18-29)22-26-11-15-28(16-12-26)47-21-8-7-10-30(34(43)38-31)37-25(4)41/h11-18,24,30-33,42H,5-10,19-23,36H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)/t30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	-12.1	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM801 ((2S)-2-amino-N-[(7S,10S,13S)-13-[(1R)-2-[(4-aminob...) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2)NC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C36H56N6O8S/c1-4-5-8-30-36(47)41-32(33(44)22-42(19-18-24(2)3)51(48,49)28-16-12-26(37)13-17-28)21-25-10-14-27(15-11-25)50-20-7-6-9-31(35(46)40-30)39-34(45)29(38)23-43/h10-17,24,29-33,43-44H,4-9,18-23,37-38H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-12.1	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM799 (Macrocycle-containing Compound 9e | tert-butyl N-[...) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C40H61N5O9S/c1-8-9-12-33-37(48)43-35(36(47)26-45(23-22-27(2)3)55(51,52)32-20-16-30(17-21-32)41-28(4)46)25-29-14-18-31(19-15-29)53-24-11-10-13-34(38(49)42-33)44-39(50)54-40(5,6)7/h14-21,27,33-36,47H,8-13,22-26H2,1-7H3,(H,41,46)(H,42,49)(H,43,48)(H,44,50)/t33-,34-,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	-11.5	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM802 (Macrocycle-containing Compound 9h | tert-butyl N-[...) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C43H66N6O11S/c1-8-9-12-34-40(54)47-36(38(52)26-49(23-22-28(2)3)61(57,58)33-20-16-31(17-21-33)44-29(4)51)25-30-14-18-32(19-15-30)59-24-11-10-13-35(39(53)45-34)46-41(55)37(27-50)48-42(56)60-43(5,6)7/h14-21,28,34-38,50,52H,8-13,22-27H2,1-7H3,(H,44,51)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t34-,35-,36-,37-,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-11.2	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM804 ((2R)-2-[(7S,10S,13S)-7-amino-8,11-dioxo-10-(propox...) Show SMILES CCCOC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2 |r| Show InChI InChI=1S/C33H51N5O7S/c1-4-18-44-22-30-33(41)36-29(20-24-8-12-26(13-9-24)45-19-6-5-7-28(35)32(40)37-30)31(39)21-38(17-16-23(2)3)46(42,43)27-14-10-25(34)11-15-27/h8-15,23,28-31,39H,4-7,16-22,34-35H2,1-3H3,(H,36,41)(H,37,40)/t28-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	-10.4	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM805 (Macrocycle-containing Compound 9k | tert-butyl N-[...) Show SMILES CCCOC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C40H61N5O10S/c1-8-22-53-26-35-38(49)42-34(36(47)25-45(21-20-27(2)3)56(51,52)32-18-14-30(15-19-32)41-28(4)46)24-29-12-16-31(17-13-29)54-23-10-9-11-33(37(48)43-35)44-39(50)55-40(5,6)7/h12-19,27,33-36,47H,8-11,20-26H2,1-7H3,(H,41,46)(H,42,49)(H,43,48)(H,44,50)/t33-,34-,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	-10.4	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
					More data for this Ligand-Target Pair