Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 6398   

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 (HIV-1))	BDBM126682 (US8785638, 170) Show SMILES Cc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12 Show InChI InChI=1S/C25H29NO3S/c1-14-10-12-16(13-11-14)20-19(22(24(27)28)29-25(3,4)5)15(2)26-23-21(20)17-8-6-7-9-18(17)30-23/h10-13,22H,6-9H2,1-5H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126676 (US8785638, 161) Show SMILES [NH4+].CCCC(C([O-])=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1O |(6.21,-1.54,;3.65,2.31,;3.65,.77,;2.32,,;2.32,-1.54,;3.65,-2.31,;4.98,-1.54,;3.65,-3.85,;.98,-2.31,;.98,-3.85,;2.32,-4.62,;-.35,-4.62,;-1.68,-3.85,;-3.15,-4.33,;-4.05,-3.08,;-5.59,-2.92,;-6.21,-1.51,;-5.31,-.27,;-3.77,-.43,;-3.15,-1.83,;-1.68,-2.31,;-.35,-1.54,;-.35,,;.98,.77,;.98,2.31,;-.35,3.08,;-.35,4.62,;-1.68,2.31,;-1.68,.77,;-3.02,,)| Show InChI InChI=1S/C24H27NO3S.H3N/c1-4-7-17(24(27)28)20-14(3)25-23-22(16-8-5-6-9-19(16)29-23)21(20)15-11-10-13(2)12-18(15)26;/h10-12,17,26H,4-9H2,1-3H3,(H,27,28);1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55.4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126692 (US8785638, 190) Show SMILES Cc1nc2sc3CCCCc3c2c(-c2ccc3OCCc4ccnc2c34)c1C(OC(C)(C)C)C(O)=O |(3.1,-5,;1.77,-4.23,;.43,-5,;-.9,-4.23,;-2.37,-4.71,;-3.27,-3.47,;-4.8,-3.3,;-5.43,-1.9,;-4.52,-.65,;-2.99,-.81,;-2.37,-2.22,;-.9,-2.69,;.43,-1.93,;.43,-.38,;1.77,.38,;1.77,1.93,;.43,2.69,;.43,4.23,;-.9,5,;-2.24,4.23,;-2.24,2.69,;-3.57,1.93,;-3.57,.38,;-2.24,-.38,;-.9,.38,;-.9,1.93,;1.77,-2.69,;2.85,-1.61,;2.45,-.12,;3.54,.97,;3.14,2.46,;5.03,.57,;4.63,2.06,;4.34,-2,;4.74,-3.49,;5.43,-.91,)| Show InChI InChI=1S/C29H30N2O4S/c1-15-21(26(28(32)33)35-29(2,3)4)23(24-17-7-5-6-8-20(17)36-27(24)31-15)18-9-10-19-22-16(12-14-34-19)11-13-30-25(18)22/h9-11,13,26H,5-8,12,14H2,1-4H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	370	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126690 (US8785638, 186) Show SMILES Cc1nc2sc3CCCCc3c2c(-c2ccc3ncsc3c2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C25H26N2O3S2/c1-13-19(22(24(28)29)30-25(2,3)4)20(14-9-10-16-18(11-14)31-12-26-16)21-15-7-5-6-8-17(15)32-23(21)27-13/h9-12,22H,5-8H2,1-4H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126634 (US8785638, 116) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F3NO2S/c1-3-5-16(22(28)29)18-12(2)27-21-20(15-6-4-7-17(15)30-21)19(18)13-8-10-14(11-9-13)23(24,25)26/h8-11,16H,3-7H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126631 (US8785638, 113 | US8785638, 142) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C24H27NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126635 (US8785638, 117) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(CC)cc1 Show InChI InChI=1S/C24H27NO2S/c1-4-7-18(24(26)27)20-14(3)25-23-22(17-8-6-9-19(17)28-23)21(20)16-12-10-15(5-2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	780	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126632 (US8785638, 114) Show SMILES CCC[C@H](C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H27NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126679 (US8785638, 165) Show SMILES Cc1ccc(cc1)-c1c(C(CC2CC2)C(O)=O)c(C)nc2sc3CCCCc3c12 Show InChI InChI=1S/C25H27NO2S/c1-14-7-11-17(12-8-14)22-21(19(25(27)28)13-16-9-10-16)15(2)26-24-23(22)18-5-3-4-6-20(18)29-24/h7-8,11-12,16,19H,3-6,9-10,13H2,1-2H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126685 (US8785638, 175) Show SMILES CCCC(c1nnn[nH]1)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C24H27N5S/c1-4-7-18(23-26-28-29-27-23)20-15(3)25-24-22(17-8-5-6-9-19(17)30-24)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126630 (US8785638, 112) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClNO2S/c1-3-5-16(22(25)26)18-12(2)24-21-20(15-6-4-7-17(15)27-21)19(18)13-8-10-14(23)11-9-13/h8-11,16H,3-7H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126683 (US8785638, 171) Show SMILES CCOC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C23H25NO3S/c1-4-27-21(23(25)26)18-14(3)24-22-20(16-7-5-6-8-17(16)28-22)19(18)15-11-9-13(2)10-12-15/h9-12,21H,4-8H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126666 (US8785638, 150) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccnc1 Show InChI InChI=1S/C22H24N2O2S/c1-3-7-16(22(25)26)18-13(2)24-21-20(15-9-4-5-10-17(15)27-21)19(18)14-8-6-11-23-12-14/h6,8,11-12,16H,3-5,7,9-10H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126677 (US8785638, 162) Show SMILES Cc1ccc(cc1)-c1c(C(CC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12 Show InChI InChI=1S/C26H31NO2S/c1-15-10-12-17(13-11-15)22-21(19(25(28)29)14-26(3,4)5)16(2)27-24-23(22)18-8-6-7-9-20(18)30-24/h10-13,19H,6-9,14H2,1-5H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126664 (US8785638, 148) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClNO2S/c1-3-6-17(23(26)27)19-13(2)25-22-21(16-7-4-5-8-18(16)28-22)20(19)14-9-11-15(24)12-10-14/h9-12,17H,3-8H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126637 (US8785638, 119) Show SMILES CCCC(C(O)=O)c1c(C)nc2sccc2c1-c1ccc(C)cc1 Show InChI InChI=1S/C20H21NO2S/c1-4-5-16(20(22)23)17-13(3)21-19-15(10-11-24-19)18(17)14-8-6-12(2)7-9-14/h6-11,16H,4-5H2,1-3H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126638 (US8785638, 120) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3ccccc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C24H23NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h5-6,8-13,18H,4,7H2,1-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126643 (US8785638, 127) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CC(C)Cc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C24H27NO2S/c1-5-6-17(24(26)27)20-15(4)25-23-22(18-11-14(3)12-19(18)28-23)21(20)16-9-7-13(2)8-10-16/h7-10,14,17H,5-6,11-12H2,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126680 (US8785638, 166) Show SMILES CCCC(C(=O)NC#N)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C25H27N3OS/c1-4-7-19(24(29)27-14-26)21-16(3)28-25-23(18-8-5-6-9-20(18)30-25)22(21)17-12-10-15(2)11-13-17/h10-13,19H,4-9H2,1-3H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126639 (US8785638, 122) Show SMILES COCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C23H25NO3S/c1-13-7-9-15(10-8-13)20-19(17(23(25)26)11-12-27-3)14(2)24-22-21(20)16-5-4-6-18(16)28-22/h7-10,17H,4-6,11-12H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126689 (US8785638, 184) Show SMILES Cc1ccc(cn1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12 Show InChI InChI=1S/C24H28N2O3S/c1-13-10-11-15(12-25-13)19-18(21(23(27)28)29-24(3,4)5)14(2)26-22-20(19)16-8-6-7-9-17(16)30-22/h10-12,21H,6-9H2,1-5H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.44E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126629 (US8785638, 110) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc(C)cc2c1-c1ccc(C)cc1 Show InChI InChI=1S/C21H23NO2S/c1-5-6-16(21(23)24)18-14(4)22-20-17(11-13(3)25-20)19(18)15-9-7-12(2)8-10-15/h7-11,16H,5-6H2,1-4H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.31E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126652 (US8785638, 136) Show SMILES CC(C)CC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C25H29NO2S/c1-14(2)13-19(25(27)28)21-16(4)26-24-23(18-7-5-6-8-20(18)29-24)22(21)17-11-9-15(3)10-12-17/h9-12,14,19H,5-8,13H2,1-4H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126627 (US8785638, 108) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc(C)c(C)c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C22H25NO2S/c1-6-7-17(22(24)25)19-14(4)23-21-18(13(3)15(5)26-21)20(19)16-10-8-12(2)9-11-16/h8-11,17H,6-7H2,1-5H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.48E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126678 (US8785638, 163) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CN(Cc4ccccc4)CCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C30H32N2O2S/c1-4-8-24(30(33)34)26-20(3)31-29-28(27(26)22-13-11-19(2)12-14-22)23-15-16-32(18-25(23)35-29)17-21-9-6-5-7-10-21/h5-7,9-14,24H,4,8,15-18H2,1-3H3,(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126647 (US8785638, 131) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(OC)cc1 Show InChI InChI=1S/C23H25NO3S/c1-4-6-17(23(25)26)19-13(2)24-22-21(16-7-5-8-18(16)28-22)20(19)14-9-11-15(27-3)12-10-14/h9-12,17H,4-8H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.54E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126662 (US8785638, 146) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25NO4S/c1-3-6-16(24(26)27)20-13(2)25-23-22(15-7-4-5-8-19(15)30-23)21(20)14-9-10-17-18(11-14)29-12-28-17/h9-11,16H,3-8,12H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.76E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126684 (US8785638, 173) Show SMILES Cc1nc2sc3CCCCc3c2c(-c2cccnc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C23H26N2O3S/c1-13-17(20(22(26)27)28-23(2,3)4)18(14-8-7-11-24-12-14)19-15-9-5-6-10-16(15)29-21(19)25-13/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126622 (US8785638, 100) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C23H25NO2S/c1-4-6-17(23(25)26)19-14(3)24-22-21(16-7-5-8-18(16)27-22)20(19)15-11-9-13(2)10-12-15/h9-12,17H,4-8H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.61E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126660 (US8785638, 144) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccc(OC)c1 Show InChI InChI=1S/C24H27NO3S/c1-4-8-18(24(26)27)20-14(2)25-23-22(17-11-5-6-12-19(17)29-23)21(20)15-9-7-10-16(13-15)28-3/h7,9-10,13,18H,4-6,8,11-12H2,1-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.64E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126628 (US8785638, 109) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc(C)c(CC)c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C23H27NO2S/c1-6-8-18(23(25)26)19-14(4)24-22-21(17(7-2)15(5)27-22)20(19)16-11-9-13(3)10-12-16/h9-12,18H,6-8H2,1-5H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.81E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126631 (US8785638, 113 | US8785638, 142) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C24H27NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.43E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126649 (US8785638, 133) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3COCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C23H25NO3S/c1-4-5-17(23(25)26)19-14(3)24-22-21(16-10-11-27-12-18(16)28-22)20(19)15-8-6-13(2)7-9-15/h6-9,17H,4-5,10-12H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126687 (US8785638, 181) Show SMILES CCCC(C(O)=O)c1c(CC)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C25H29NO2S/c1-4-8-18(25(27)28)22-19(5-2)26-24-23(17-9-6-7-10-20(17)29-24)21(22)16-13-11-15(3)12-14-16/h11-14,18H,4-10H2,1-3H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.06E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126669 (US8785638, 154) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cc2ccccc2o1 Show InChI InChI=1S/C25H25NO3S/c1-3-8-17(25(27)28)21-14(2)26-24-22(16-10-5-7-12-20(16)30-24)23(21)19-13-15-9-4-6-11-18(15)29-19/h4,6,9,11,13,17H,3,5,7-8,10,12H2,1-2H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.12E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126655 (US8785638, 139) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H23Cl2NO2S/c1-3-6-15(23(27)28)19-12(2)26-22-21(14-7-4-5-8-18(14)29-22)20(19)13-9-10-16(24)17(25)11-13/h9-11,15H,3-8H2,1-2H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.24E+3	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126644 (US8785638, 128) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3C(C)CCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C24H27NO2S/c1-5-6-18(24(26)27)19-15(4)25-23-21(17-12-9-14(3)22(17)28-23)20(19)16-10-7-13(2)8-11-16/h7-8,10-11,14,18H,5-6,9,12H2,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126686 (US8785638, 177) Show SMILES Cc1nc2sc3CCCCc3c2c(-c2cnn(C)c2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H27N3O3S/c1-12-16(19(21(26)27)28-22(2,3)4)17(13-10-23-25(5)11-13)18-14-8-6-7-9-15(14)29-20(18)24-12/h10-11,19H,6-9H2,1-5H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126674 (US8785638, 159) Show SMILES Cc1ccc(cc1)-c1c(C(CC#C)C(O)=O)c(C)nc2sc3CCCCc3c12 Show InChI InChI=1S/C24H23NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h1,10-13,18H,5-9H2,2-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126673 (US8785638, 158) Show SMILES Cc1ccc(cc1)-c1c(C(CCC(F)(F)F)C(O)=O)c(C)nc2sc3CCCCc3c12 Show InChI InChI=1S/C24H24F3NO2S/c1-13-7-9-15(10-8-13)20-19(17(23(29)30)11-12-24(25,26)27)14(2)28-22-21(20)16-5-3-4-6-18(16)31-22/h7-10,17H,3-6,11-12H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126691 (US8785638, 188) Show SMILES Cc1nc2sc3CCCCc3c2c(Sc2ccccc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C24H27NO3S2/c1-14-18(20(23(26)27)28-24(2,3)4)21(29-15-10-6-5-7-11-15)19-16-12-8-9-13-17(16)30-22(19)25-14/h5-7,10-11,20H,8-9,12-13H2,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126633 (US8785638, 115) Show SMILES CCC[C@@H](C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H27NO2S/c1-4-7-18(24(26)27)20-15(3)25-23-22(17-8-5-6-9-19(17)28-23)21(20)16-12-10-14(2)11-13-16/h10-13,18H,4-9H2,1-3H3,(H,26,27)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126675 (US8785638, 160) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1OC |(4.26,2.31,;4.26,.77,;2.93,,;2.93,-1.54,;4.26,-2.31,;5.6,-1.54,;4.26,-3.85,;1.6,-2.31,;1.6,-3.85,;2.93,-4.62,;.26,-4.62,;-1.07,-3.85,;-2.53,-4.33,;-3.44,-3.08,;-4.97,-2.92,;-5.6,-1.51,;-4.69,-.27,;-3.16,-.43,;-2.53,-1.83,;-1.07,-2.31,;.26,-1.54,;.26,,;1.6,.77,;1.6,2.31,;.26,3.08,;.26,4.62,;-1.07,2.31,;-1.07,.77,;-2.4,,;-3.74,.77,)| Show InChI InChI=1S/C25H29NO3S/c1-5-8-18(25(27)28)21-15(3)26-24-23(17-9-6-7-10-20(17)30-24)22(21)16-12-11-14(2)13-19(16)29-4/h11-13,18H,5-10H2,1-4H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126656 (US8785638, 140) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H24F3NO2S/c1-3-7-17(23(29)30)19-13(2)28-22-21(16-10-4-5-11-18(16)31-22)20(19)14-8-6-9-15(12-14)24(25,26)27/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126667 (US8785638, 151) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H24F3NO3S/c1-3-6-17(23(29)30)19-13(2)28-22-21(16-7-4-5-8-18(16)32-22)20(19)14-9-11-15(12-10-14)31-24(25,26)27/h9-12,17H,3-8H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126636 (US8785638, 118) Show SMILES CCCC(C(O)=O)c1c(C)nc2scc(C)c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C21H23NO2S/c1-5-6-16(21(23)24)18-14(4)22-20-17(13(3)11-25-20)19(18)15-9-7-12(2)8-10-15/h7-11,16H,5-6H2,1-4H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126657 (US8785638, 141) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1cccc(C)c1 Show InChI InChI=1S/C24H27NO2S/c1-4-8-18(24(26)27)20-15(3)25-23-22(17-11-5-6-12-19(17)28-23)21(20)16-10-7-9-14(2)13-16/h7,9-10,13,18H,4-6,8,11-12H2,1-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126663 (US8785638, 147) Show SMILES Cc1ccc(cc1)-c1c(C(CCCC(F)(F)F)C(O)=O)c(C)nc2sc3CCCCc3c12 Show InChI InChI=1S/C25H26F3NO2S/c1-14-9-11-16(12-10-14)21-20(18(24(30)31)7-5-13-25(26,27)28)15(2)29-23-22(21)17-6-3-4-8-19(17)32-23/h9-12,18H,3-8,13H2,1-2H3,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126672 (US8785638, 157) Show SMILES CCC(C)C(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1 Show InChI InChI=1S/C25H29NO2S/c1-5-15(3)20(25(27)28)21-16(4)26-24-23(18-8-6-7-9-19(18)29-24)22(21)17-12-10-14(2)11-13-17/h10-13,15,20H,5-9H2,1-4H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM126661 (US8785638, 145) Show SMILES CCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C25H29NO4S/c1-5-8-17(25(27)28)21-14(2)26-24-23(16-9-6-7-10-20(16)31-24)22(21)15-11-12-18(29-3)19(13-15)30-4/h11-13,17H,5-10H2,1-4H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	7.4	4
Katholieke Universiteit Leuven US Patent					Assay Description The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...				US Patent US8785638 (2014) BindingDB Entry DOI: 10.7270/Q2S18167
					More data for this Ligand-Target Pair

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