Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'rodrigues' and Initial = 'ad'   

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 [489-587] (Human immunodeficiency virus type 1)	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of ritonavir towards HIV protease was determined				Bioorg Med Chem Lett 7: 699-704 (1997) Article DOI: 10.1016/S0960-894X(97)00080-2 BindingDB Entry DOI: 10.7270/Q23N23C1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha1A human adrenergic receptors, using [125I]-HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha1A dog adrenergic receptors, using [125I]HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha1A rat adrenergic receptors, using [125I]HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204085 (CHEMBL3960606) Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H27ClN2O4S/c1-27(2,32)25-16-30(26(29-25)15-20-6-4-5-7-23(20)28)22-12-10-18(11-13-22)19-8-9-21(17-31)24(14-19)35(3,33)34/h4-14,16,31-32H,15,17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204079 (CHEMBL3935187) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-28(2,26-21(30)7-6-8-22(26)31)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204078 (CHEMBL3926292) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,20-8-6-7-9-21(20)30)27-33-26(29(3,4)36)15-34(27)24-11-10-17(12-23(24)32)18-13-22(31)19(16-35)25(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204077 (CHEMBL3944154) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30ClFN2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204076 (CHEMBL3890276) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H28Cl2N2O3S/c1-27(2,25-22(29)10-7-11-23(25)30)26-31-24(28(3,4)33)17-32(26)20-14-12-18(13-15-20)19-8-6-9-21(16-19)36(5,34)35/h6-17,33H,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204075 (CHEMBL3980683) Show SMILES CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H25Cl2FN2O4S/c1-27(2,34)25-14-32(26(31-25)13-19-21(28)5-4-6-22(19)29)18-9-7-16(8-10-18)17-11-23(30)20(15-33)24(12-17)37(3,35)36/h4-12,14,33-34H,13,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 | US10543183, Compound 12 | US109459...) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204082 (CHEMBL3945820) Show SMILES CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H26Cl2F2N2O4S/c1-15(26-19(29)6-5-7-20(26)30)27-33-25(28(2,3)36)13-34(27)23-9-8-16(10-22(23)32)17-11-21(31)18(14-35)24(12-17)39(4,37)38/h5-13,15,35-36H,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204081 (CHEMBL3913162) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H31ClN2O4S/c1-28(2,23-8-6-7-9-24(23)30)27-31-26(29(3,4)34)17-32(27)22-14-12-19(13-15-22)20-10-11-21(18-33)25(16-20)37(5,35)36/h6-17,33-34H,18H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50034775 (CHEMBL3360975 | US10543183, Compound 38 | US109459...) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204073 (CHEMBL3917300) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(F)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28ClF3N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204071 (CHEMBL3953927) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,21-7-6-8-22(31)26(21)30)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204083 (CHEMBL3941775) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1F)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30F2N2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204076 (CHEMBL3890276) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H28Cl2N2O3S/c1-27(2,25-22(29)10-7-11-23(25)30)26-31-24(28(3,4)33)17-32(26)20-14-12-18(13-15-20)19-8-6-9-21(16-19)36(5,34)35/h6-17,33H,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204082 (CHEMBL3945820) Show SMILES CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H26Cl2F2N2O4S/c1-15(26-19(29)6-5-7-20(26)30)27-33-25(28(2,3)36)13-34(27)23-9-8-16(10-22(23)32)17-11-21(31)18(14-35)24(12-17)39(4,37)38/h5-13,15,35-36H,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204078 (CHEMBL3926292) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,20-8-6-7-9-21(20)30)27-33-26(29(3,4)36)15-34(27)24-11-10-17(12-23(24)32)18-13-22(31)19(16-35)25(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 | US10543183, Compound 12 | US109459...) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204085 (CHEMBL3960606) Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H27ClN2O4S/c1-27(2,32)25-16-30(26(29-25)15-20-6-4-5-7-23(20)28)22-12-10-18(11-13-22)19-8-9-21(17-31)24(14-19)35(3,33)34/h4-14,16,31-32H,15,17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204079 (CHEMBL3935187) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-28(2,26-21(30)7-6-8-22(26)31)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204080 (CHEMBL3963566) Show SMILES CC(O)c1ccc(cc1S(C)(=O)=O)-c1ccc(cc1)-n1cc(nc1C(C)(C)c1ccccc1Cl)C(C)(C)O Show InChI InChI=1S/C30H33ClN2O4S/c1-19(34)23-16-13-21(17-26(23)38(6,36)37)20-11-14-22(15-12-20)33-18-27(30(4,5)35)32-28(33)29(2,3)24-9-7-8-10-25(24)31/h7-19,34-35H,1-6H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2C-adrenergic receptor, using [3H]rauwolscine as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2A-adrenergic receptor, using [3H]rauwolscine as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2B-adrenergic receptor, using [3H]rauwolscine as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204074 (CHEMBL3910597) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1Cl)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl3FN2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-21(23)32)17-12-22(33)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204074 (CHEMBL3910597) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1Cl)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl3FN2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-21(23)32)17-12-22(33)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204077 (CHEMBL3944154) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30ClFN2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204071 (CHEMBL3953927) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,21-7-6-8-22(31)26(21)30)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards Histamine H1 receptor in human brain tissue preparation, using [3H]rauwolscine as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha1D rat adrenergic receptors, using [125I]HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50034775 (CHEMBL3360975 | US10543183, Compound 38 | US109459...) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204073 (CHEMBL3917300) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(F)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28ClF3N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204081 (CHEMBL3913162) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H31ClN2O4S/c1-28(2,23-8-6-7-9-24(23)30)27-31-26(29(3,4)34)17-32(27)22-14-12-19(13-15-22)20-10-11-21(18-33)25(16-20)37(5,35)36/h6-17,33-34H,18H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204075 (CHEMBL3980683) Show SMILES CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H25Cl2FN2O4S/c1-27(2,34)25-14-32(26(31-25)13-19-21(28)5-4-6-22(19)29)18-9-7-16(8-10-18)17-11-23(30)20(15-33)24(12-17)37(3,35)36/h4-12,14,33-34H,13,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha1B rat adrenergic receptors, using [125I]HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204083 (CHEMBL3941775) Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1F)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30F2N2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha1B human adrenergic receptors, using [125I]-HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha1B dog adrenergic receptors, using [125I]HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha1D human adrenergic receptors, using [125I]HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha1D dog adrenergic receptors, using [125I]-HEAT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50204080 (CHEMBL3963566) Show SMILES CC(O)c1ccc(cc1S(C)(=O)=O)-c1ccc(cc1)-n1cc(nc1C(C)(C)c1ccccc1Cl)C(C)(C)O Show InChI InChI=1S/C30H33ClN2O4S/c1-19(34)23-16-13-21(17-26(23)38(6,36)37)20-11-14-22(15-12-20)33-18-27(30(4,5)35)32-28(33)29(2,3)24-9-7-8-10-25(24)31/h7-19,34-35H,1-6H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]5-HT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards 5-HT1D receptor, using [3H]5-HT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Mus musculus (Mouse))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor receptor, using [3H]5-HT as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to rat L-type Ca-channel receptor				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50090647 ((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...) Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards human Histamine H2 receptor, using [3H]tiotidine as radioligand.				J Med Chem 43: 2775-8 (2000) BindingDB Entry DOI: 10.7270/Q2PZ582K
					More data for this Ligand-Target Pair

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