Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'hucke' and Initial = 'o'   

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
Genome polyprotein [1027-1206,R1052K] (Hepatitis C virus)	BDBM92407 (BI201335) Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r| Show InChI InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21?,23-,27?,32-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	0.000440	8.50E+5	8.0	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emissi...				J Biol Chem 286: 11434-43 (2011) Article DOI: 10.1074/jbc.M110.211417 BindingDB Entry DOI: 10.7270/Q2WM1C0T
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM92407 (BI201335) Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r| Show InChI InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21?,23-,27?,32-,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	0.000530	5.40E+5	8.0	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emissi...				J Biol Chem 286: 11434-43 (2011) Article DOI: 10.1074/jbc.M110.211417 BindingDB Entry DOI: 10.7270/Q2WM1C0T
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1206,R1052K] (Hepatitis C virus)	BDBM92408 (NS3 protease inhibitor, analog 1) Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1)-c1csc(NC(=O)C(C)C)n1 |r| Show InChI InChI=1S/C40H50N6O9S/c1-8-22-18-40(22,36(50)51)45-34(48)30-16-25(19-46(30)35(49)32(39(4,5)6)43-38(52)55-23-11-9-10-12-23)54-31-17-28(41-27-15-24(53-7)13-14-26(27)31)29-20-56-37(42-29)44-33(47)21(2)3/h8,13-15,17,20-23,25,30,32H,1,9-12,16,18-19H2,2-7H3,(H,43,52)(H,45,48)(H,50,51)(H,42,44,47)/t22?,25-,30?,32-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.89	n/a	n/a	n/a	n/a	0.00220	1.10E+6	8.0	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emissi...				J Biol Chem 286: 11434-43 (2011) Article DOI: 10.1074/jbc.M110.211417 BindingDB Entry DOI: 10.7270/Q2WM1C0T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50005004 (CHEMBL2397309) Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r,wU:5.8,2.1,(18.48,-29.12,;17.85,-27.71,;16.32,-27.55,;15.42,-28.8,;13.89,-28.64,;13.26,-27.23,;14.16,-25.98,;15.69,-26.14,;11.73,-27.08,;10.83,-28.32,;11.1,-25.67,;9.57,-25.52,;8.79,-24.19,;7.29,-24.51,;6.14,-23.48,;7.13,-26.04,;8.54,-26.66,;5.8,-26.81,;4.46,-26.05,;3.13,-26.82,;3.13,-28.36,;1.8,-29.13,;4.46,-29.13,;5.8,-28.36,)| Show InChI InChI=1S/C17H22N4O2S/c1-10-15(12-5-8-14(18)19-9-12)24-17(20-10)21-16(22)11-3-6-13(23-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H2,18,19)(H,20,21,22)/t11-,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50005008 (CHEMBL2397312) Show SMILES CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486119 (CHEMBL2204010) Show SMILES CCc1cc(-c2ccc(o2)C(F)(F)F)n(n1)-c1ccc2n(Cc3c[nH]c(=O)c(C)c3)c(nc2c1)-c1cc(ccc1O)C(=O)N1CCCC1 Show InChI InChI=1S/C35H31F3N6O4/c1-3-23-16-28(30-10-11-31(48-30)35(36,37)38)44(41-23)24-7-8-27-26(17-24)40-32(43(27)19-21-14-20(2)33(46)39-18-21)25-15-22(6-9-29(25)45)34(47)42-12-4-5-13-42/h6-11,14-18,45H,3-5,12-13,19H2,1-2H3,(H,39,46)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50005009 (CHEMBL2397311) Show SMILES Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1 Show InChI InChI=1S/C17H22N4OS/c1-11-14(12-6-7-13(18)19-10-12)23-16(20-11)21-15(22)17(2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,19)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486134 (CHEMBL2204005) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(F)ccc1O Show InChI InChI=1S/C29H24FN5O3/c1-3-20-13-25(27-10-4-17(2)38-27)35(33-20)21-7-8-24-23(14-21)32-29(22-12-19(30)6-9-26(22)36)34(24)16-18-5-11-28(37)31-15-18/h4-15,36H,3,16H2,1-2H3,(H,31,37)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486131 (CHEMBL2204007) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(ccc1O)C(=O)N(C)C Show InChI InChI=1S/C32H30N6O4/c1-5-22-15-27(29-12-6-19(2)42-29)38(35-22)23-9-10-26-25(16-23)34-31(37(26)18-20-7-13-30(40)33-17-20)24-14-21(8-11-28(24)39)32(41)36(3)4/h6-17,39H,5,18H2,1-4H3,(H,33,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50436476 (CHEMBL2397316) Show SMILES Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1 Show InChI InChI=1S/C15H17F3N4OS/c1-8-11(9-4-5-10(19)20-6-9)24-13(21-8)22-12(23)14(2,3)7-15(16,17)18/h4-6H,7H2,1-3H3,(H2,19,20)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486131 (CHEMBL2204007) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(ccc1O)C(=O)N(C)C Show InChI InChI=1S/C32H30N6O4/c1-5-22-15-27(29-12-6-19(2)42-29)38(35-22)23-9-10-26-25(16-23)34-31(37(26)18-20-7-13-30(40)33-17-20)24-14-21(8-11-28(24)39)32(41)36(3)4/h6-17,39H,5,18H2,1-4H3,(H,33,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491676 (CHEMBL2387159) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2ccc(O)cc2)C1=O)C(F)(F)F Show InChI InChI=1S/C23H18F3N3O3/c1-2-27-19-13-8-15(23(24,25)26)14-20(19)28(16-6-4-3-5-7-16)22(32)29(21(27)31)17-9-11-18(30)12-10-17/h3-14,30H,2H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50436477 (CHEMBL2397315) Show SMILES C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r| Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50005007 (CHEMBL2397310) Show SMILES Cc1nc(NC(=O)[C@H]2CC[C@H](CC2)C(F)(F)F)sc1-c1ccc(N)nc1 |r,wU:7.6,10.13,(28.23,-22.96,;29.38,-23.98,;30.89,-23.66,;31.66,-24.99,;33.2,-25.14,;33.83,-26.55,;32.93,-27.8,;35.36,-26.7,;36.25,-25.45,;37.79,-25.61,;38.42,-27.02,;37.51,-28.27,;35.99,-28.11,;39.95,-27.18,;40.58,-28.59,;40.86,-25.94,;41.49,-27.18,;30.64,-26.14,;29.23,-25.51,;27.89,-26.28,;26.56,-25.52,;25.23,-26.29,;25.23,-27.83,;23.89,-28.6,;26.56,-28.6,;27.9,-27.83,)| Show InChI InChI=1S/C17H19F3N4OS/c1-9-14(11-4-7-13(21)22-8-11)26-16(23-9)24-15(25)10-2-5-12(6-3-10)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,21,22)(H,23,24,25)/t10-,12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486118 (CHEMBL2204004) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1ccccc1O Show InChI InChI=1S/C29H25N5O3/c1-3-20-14-25(27-12-8-18(2)37-27)34(32-20)21-10-11-24-23(15-21)31-29(22-6-4-5-7-26(22)35)33(24)17-19-9-13-28(36)30-16-19/h4-16,35H,3,17H2,1-2H3,(H,30,36)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486135 (CHEMBL2204006) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(ccc1O)C(O)=O Show InChI InChI=1S/C30H25N5O5/c1-3-20-13-25(27-10-4-17(2)40-27)35(33-20)21-7-8-24-23(14-21)32-29(22-12-19(30(38)39)6-9-26(22)36)34(24)16-18-5-11-28(37)31-15-18/h4-15,36H,3,16H2,1-2H3,(H,31,37)(H,38,39)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486121 (CHEMBL2204008) Show SMILES CCc1cc(-c2ccc(o2)C(F)(F)F)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(ccc1O)C(=O)N(C)C Show InChI InChI=1S/C32H27F3N6O4/c1-4-20-14-25(27-10-11-28(45-27)32(33,34)35)41(38-20)21-7-8-24-23(15-21)37-30(40(24)17-18-5-12-29(43)36-16-18)22-13-19(6-9-26(22)42)31(44)39(2)3/h5-16,42H,4,17H2,1-3H3,(H,36,43)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491659 (CHEMBL2387165) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2cc(C)c(O)c(Cl)c2)C1=O)C(F)(F)F Show InChI InChI=1S/C24H19ClF3N3O3/c1-3-29-19-10-9-15(24(26,27)28)12-20(19)30(16-7-5-4-6-8-16)23(34)31(22(29)33)17-11-14(2)21(32)18(25)13-17/h4-13,32H,3H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486120 (CHEMBL2204009) Show SMILES CCc1cc(-c2ccc(o2)C(F)(F)F)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(ccc1O)C(=O)N1CCCC1 Show InChI InChI=1S/C34H29F3N6O4/c1-2-22-16-27(29-10-11-30(47-29)34(35,36)37)43(40-22)23-7-8-26-25(17-23)39-32(42(26)19-20-5-12-31(45)38-18-20)24-15-21(6-9-28(24)44)33(46)41-13-3-4-14-41/h5-12,15-18,44H,2-4,13-14,19H2,1H3,(H,38,45)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486130 (CHEMBL2203999) Show SMILES CCc1cc(-c2ccc(o2)C(F)(F)F)n(n1)-c1ccc2n(Cc3cc(C)c(=O)n(C)c3)c(nc2c1)-c1cc(ccc1O)C(=O)N1CCCC1 Show InChI InChI=1S/C36H33F3N6O4/c1-4-24-17-29(31-11-12-32(49-31)36(37,38)39)45(41-24)25-8-9-28-27(18-25)40-33(44(28)20-22-15-21(2)34(47)42(3)19-22)26-16-23(7-10-30(26)46)35(48)43-13-5-6-14-43/h7-12,15-19,46H,4-6,13-14,20H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50005010 (CHEMBL2397313) Show SMILES Cc1nc(NC(=O)Cc2nc(c(C)o2)-c2ccccc2)sc1-c1ccc(N)nc1 Show InChI InChI=1S/C21H19N5O2S/c1-12-20(15-8-9-16(22)23-11-15)29-21(24-12)25-17(27)10-18-26-19(13(2)28-18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H2,22,23)(H,24,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486132 (CHEMBL2204002) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(OC)c(O)c3)c(nc2c1)-c1cc(ccc1O)C(O)=O Show InChI InChI=1S/C32H28N4O6/c1-4-21-15-26(29-11-5-18(2)42-29)36(34-21)22-8-9-25-24(16-22)33-31(23-14-20(32(39)40)7-10-27(23)37)35(25)17-19-6-12-30(41-3)28(38)13-19/h5-16,37-38H,4,17H2,1-3H3,(H,39,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491668 (CHEMBL2387164) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2ccc(O)c(C)c2)C1=O)C(F)(F)F Show InChI InChI=1S/C24H20F3N3O3/c1-3-28-19-11-9-16(24(25,26)27)14-20(19)29(17-7-5-4-6-8-17)23(33)30(22(28)32)18-10-12-21(31)15(2)13-18/h4-14,31H,3H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50005011 (CHEMBL2397303) Show SMILES Nc1ccc(cc1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1 Show InChI InChI=1S/C24H21N5O2S/c25-20-8-6-18(7-9-20)21-14-27-24(32-21)28-22(30)16-29(15-17-4-2-1-3-5-17)23(31)19-10-12-26-13-11-19/h1-14H,15-16,25H2,(H,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491667 (CHEMBL2387171) Show SMILES CN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3cc(NC(=O)[C@@H]4CCCN4)ccc23)C1=O)C(F)(F)F |r| Show InChI InChI=1S/C30H27F3N4O3/c1-36-24-12-9-19(30(31,32)33)17-25(24)37(21-6-3-2-4-7-21)28(40)29(27(36)39)14-13-18-16-20(10-11-22(18)29)35-26(38)23-8-5-15-34-23/h2-4,6-7,9-12,16-17,23,34H,5,8,13-15H2,1H3,(H,35,38)/t23-,29?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486122 (CHEMBL2204003) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(OC)c(O)c3)c(nc2c1)-c1cc(ccc1O)C(=O)N(C)C Show InChI InChI=1S/C34H33N5O5/c1-6-23-17-28(31-13-7-20(2)44-31)39(36-23)24-10-11-27-26(18-24)35-33(25-16-22(9-12-29(25)40)34(42)37(3)4)38(27)19-21-8-14-32(43-5)30(41)15-21/h7-18,40-41H,6,19H2,1-5H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491675 (CHEMBL2387162) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2ccc(cc2)C(=O)NC)C1=O)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O3/c1-3-30-20-14-11-17(25(26,27)28)15-21(20)31(18-7-5-4-6-8-18)24(35)32(23(30)34)19-12-9-16(10-13-19)22(33)29-2/h4-15H,3H2,1-2H3,(H,29,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50005005 (CHEMBL2397317) Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12 Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491656 (CHEMBL2387169) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3cc(OC)ccc23)C1=O)C(F)(F)F Show InChI InChI=1S/C27H23F3N2O3/c1-3-31-22-12-9-18(27(28,29)30)16-23(22)32(19-7-5-4-6-8-19)25(34)26(24(31)33)14-13-17-15-20(35-2)10-11-21(17)26/h4-12,15-16H,3,13-14H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491670 (CHEMBL2387170) Show SMILES CN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3cc(N)ccc23)C1=O)C(F)(F)F Show InChI InChI=1S/C25H20F3N3O2/c1-30-20-10-7-16(25(26,27)28)14-21(20)31(18-5-3-2-4-6-18)23(33)24(22(30)32)12-11-15-13-17(29)8-9-19(15)24/h2-10,13-14H,11-12,29H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486128 (CHEMBL2204016) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C30H26N6O3/c1-3-22-14-26(27-12-4-18(2)39-27)36(34-22)23-10-11-25-24(15-23)33-30(21-8-6-20(7-9-21)29(31)38)35(25)17-19-5-13-28(37)32-16-19/h4-16H,3,17H2,1-2H3,(H2,31,38)(H,32,37)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491665 (CHEMBL2387158) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2ccc(OC)cc2)C1=O)C(F)(F)F Show InChI InChI=1S/C24H20F3N3O3/c1-3-28-20-14-9-16(24(25,26)27)15-21(20)29(17-7-5-4-6-8-17)23(32)30(22(28)31)18-10-12-19(33-2)13-11-18/h4-15H,3H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491662 (CHEMBL2387160) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O)C(F)(F)F Show InChI InChI=1S/C24H20F3N3O2/c1-3-28-20-14-11-17(24(25,26)27)15-21(20)29(18-7-5-4-6-8-18)23(32)30(22(28)31)19-12-9-16(2)10-13-19/h4-15H,3H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491658 (CHEMBL2387167) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3cc(O)ccc23)C1=O)C(F)(F)F Show InChI InChI=1S/C26H21F3N2O3/c1-2-30-21-11-8-17(26(27,28)29)15-22(21)31(18-6-4-3-5-7-18)24(34)25(23(30)33)13-12-16-14-19(32)9-10-20(16)25/h3-11,14-15,32H,2,12-13H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491672 (CHEMBL2387157) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2cccc(OC)c2)C1=O)C(F)(F)F Show InChI InChI=1S/C24H20F3N3O3/c1-3-28-20-13-12-16(24(25,26)27)14-21(20)29(17-8-5-4-6-9-17)23(32)30(22(28)31)18-10-7-11-19(15-18)33-2/h4-15H,3H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491660 (CHEMBL2387163) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2cccc(c2)C(=O)NCCN2CCOCC2)C1=O)C(F)(F)F Show InChI InChI=1S/C30H30F3N5O4/c1-2-36-25-12-11-22(30(31,32)33)20-26(25)37(23-8-4-3-5-9-23)29(41)38(28(36)40)24-10-6-7-21(19-24)27(39)34-13-14-35-15-17-42-18-16-35/h3-12,19-20H,2,13-18H2,1H3,(H,34,39)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50436478 (CHEMBL2397314) Show SMILES C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r| Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of PI4K3beta (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491678 (CHEMBL2387166) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3c2cccc3O)C1=O)C(F)(F)F Show InChI InChI=1S/C26H21F3N2O3/c1-2-30-20-12-11-16(26(27,28)29)15-21(20)31(17-7-4-3-5-8-17)24(34)25(23(30)33)14-13-18-19(25)9-6-10-22(18)32/h3-12,15,32H,2,13-14H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486123 (CHEMBL2204001) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(OC)c(O)c3)c(nc2c1)-c1cc(F)ccc1O Show InChI InChI=1S/C31H27FN4O4/c1-4-21-15-26(29-11-5-18(2)40-29)36(34-21)22-8-9-25-24(16-22)33-31(23-14-20(32)7-10-27(23)37)35(25)17-19-6-12-30(39-3)28(38)13-19/h5-16,37-38H,4,17H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491661 (CHEMBL2387161) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2cccc(c2)C(=O)NC)C1=O)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O3/c1-3-30-20-13-12-17(25(26,27)28)15-21(20)31(18-9-5-4-6-10-18)24(35)32(23(30)34)19-11-7-8-16(14-19)22(33)29-2/h4-15H,3H2,1-2H3,(H,29,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491677 (CHEMBL2387175) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CC(C)c3cc(O)ccc23)C1=O)C(F)(F)F Show InChI InChI=1S/C27H23F3N2O3/c1-3-31-22-12-9-17(27(28,29)30)13-23(22)32(18-7-5-4-6-8-18)25(35)26(24(31)34)15-16(2)20-14-19(33)10-11-21(20)26/h4-14,16,33H,3,15H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50437045 (CHEMBL2403225) Show SMILES COc1ccnc(Oc2ccc3n(Cc4ccc(F)cc4F)cnc(=O)c3c2)c1C(F)(F)F Show InChI InChI=1S/C22H14F5N3O3/c1-32-18-6-7-28-21(19(18)22(25,26)27)33-14-4-5-17-15(9-14)20(31)29-11-30(17)10-12-2-3-13(23)8-16(12)24/h2-9,11H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 4132-40 (2013) Article DOI: 10.1016/j.bmcl.2013.05.037 BindingDB Entry DOI: 10.7270/Q21V5GC5
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486125 (CHEMBL2204013) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3cccnc3)c(nc2c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C30H26N6O2/c1-3-23-15-27(28-13-6-19(2)38-28)36(34-23)24-11-12-26-25(16-24)33-30(22-9-7-21(8-10-22)29(31)37)35(26)18-20-5-4-14-32-17-20/h4-17H,3,18H2,1-2H3,(H2,31,37)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486129 (CHEMBL2204000) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(OC)c(O)c3)c(nc2c1)-c1ccccc1O Show InChI InChI=1S/C31H28N4O4/c1-4-21-16-26(29-13-9-19(2)39-29)35(33-21)22-11-12-25-24(17-22)32-31(23-7-5-6-8-27(23)36)34(25)18-20-10-14-30(38-3)28(37)15-20/h5-17,36-37H,4,18H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly as...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491671 (CHEMBL2387156) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3ccccc23)C1=O)C(F)(F)F Show InChI InChI=1S/C26H21F3N2O2/c1-2-30-21-13-12-18(26(27,28)29)16-22(21)31(19-9-4-3-5-10-19)24(33)25(23(30)32)15-14-17-8-6-7-11-20(17)25/h3-13,16H,2,14-15H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50005011 (CHEMBL2397303) Show SMILES Nc1ccc(cc1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1 Show InChI InChI=1S/C24H21N5O2S/c25-20-8-6-18(7-9-20)21-14-27-24(32-21)28-22(30)16-29(15-17-4-2-1-3-5-17)23(31)19-10-12-26-13-11-19/h1-14H,15-16,25H2,(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486132 (CHEMBL2204002) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(OC)c(O)c3)c(nc2c1)-c1cc(ccc1O)C(O)=O Show InChI InChI=1S/C32H28N4O6/c1-4-21-15-26(29-11-5-18(2)42-29)36(34-21)22-8-9-25-24(16-22)33-31(23-14-20(32(39)40)7-10-27(23)37)35(25)17-19-6-12-30(41-3)28(38)13-19/h5-16,37-38H,4,17H2,1-3H3,(H,39,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491657 (CHEMBL2387168) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3ccc(O)cc23)C1=O)C(F)(F)F Show InChI InChI=1S/C26H21F3N2O3/c1-2-30-21-11-9-17(26(27,28)29)14-22(21)31(18-6-4-3-5-7-18)24(34)25(23(30)33)13-12-16-8-10-19(32)15-20(16)25/h3-11,14-15,32H,2,12-13H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50491669 (CHEMBL2387155) Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)C(F)(F)F Show InChI InChI=1S/C23H18F3N3O2/c1-2-27-19-14-13-16(23(24,25)26)15-20(19)28(17-9-5-3-6-10-17)22(31)29(21(27)30)18-11-7-4-8-12-18/h3-15H,2H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3396-400 (2013) Article DOI: 10.1016/j.bmcl.2013.03.073 BindingDB Entry DOI: 10.7270/Q2GX4FGF
					More data for this Ligand-Target Pair
Structural capsid protein (Human immunodeficiency virus 1)	BDBM50486135 (CHEMBL2204006) Show SMILES CCc1cc(-c2ccc(C)o2)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(ccc1O)C(O)=O Show InChI InChI=1S/C30H25N5O5/c1-3-20-13-25(27-10-4-17(2)40-27)35(33-20)21-7-8-24-23(14-21)32-29(22-12-19(30(38)39)6-9-26(22)36)34(24)16-18-5-11-28(37)31-15-18/h4-15,36H,3,16H2,1-2H3,(H,31,37)(H,38,39)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3...				Bioorg Med Chem Lett 22: 7512-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.034 BindingDB Entry DOI: 10.7270/Q2RF5XWN
					More data for this Ligand-Target Pair

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