Compile Data Set for Download or QSAR

Found 4243 hits with Last Name = 'bollu' and Initial = 'v'   

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
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))	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))	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))	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-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))	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-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
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))	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
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))	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
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
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
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445829 (US10669240, Compound 1141) Show SMILES CC1CN(CC(C)O1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445759 (US10669240, Compound 55) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1 Show InChI InChI=1S/C28H30F2N8O/c1-36-8-10-38(11-9-36)25-5-3-22(16-32-25)33-27(39)26-23-13-20(2-4-24(23)34-35-26)21-12-19(14-31-15-21)17-37-7-6-28(29,30)18-37/h2-5,12-16H,6-11,17-18H2,1H3,(H,33,39)(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445758 (US10669240, Compound 54) Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1 Show InChI InChI=1S/C24H22F2N6O2/c1-34-21-5-3-18(12-28-21)29-23(33)22-19-9-16(2-4-20(19)30-31-22)17-8-15(10-27-11-17)13-32-7-6-24(25,26)14-32/h2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445786 (US10669240, Compound 82) Show SMILES CC1CCN(Cc2cncc(c2)-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)CC1 Show InChI InChI=1S/C25H26N6O/c1-17-6-9-31(10-7-17)16-18-11-20(14-27-13-18)19-4-5-23-22(12-19)24(30-29-23)25(32)28-21-3-2-8-26-15-21/h2-5,8,11-15,17H,6-7,9-10,16H2,1H3,(H,28,32)(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445831 (US10669240, Compound 1153) Show SMILES Fc1cc2[nH]nc(C(=O)Nc3cccnc3)c2cc1-c1cncc(CN2CCCCC2)c1 Show InChI InChI=1S/C24H23FN6O/c25-21-11-22-20(23(30-29-22)24(32)28-18-5-4-6-26-14-18)10-19(21)17-9-16(12-27-13-17)15-31-7-2-1-3-8-31/h4-6,9-14H,1-3,7-8,15H2,(H,28,32)(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445747 (US10669240, Compound 43) Show SMILES O=C(Nc1cccc2cccnc12)c1n[nH]c2ccc(cc12)-c1cccnc1 Show InChI InChI=1S/C22H15N5O/c28-22(25-19-7-1-4-14-5-3-11-24-20(14)19)21-17-12-15(8-9-18(17)26-27-21)16-6-2-10-23-13-16/h1-13H,(H,25,28)(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445775 (US10669240, Compound 71) Show SMILES FC1(F)CN(C1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1 Show InChI InChI=1S/C27H27F2N7O/c28-27(29)16-36(17-27)24-7-5-21(14-31-24)32-26(37)25-22-11-19(4-6-23(22)33-34-25)20-10-18(12-30-13-20)15-35-8-2-1-3-9-35/h4-7,10-14H,1-3,8-9,15-17H2,(H,32,37)(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445777 (US10669240, Compound 73) Show SMILES CC(C)CC(=O)Nc1ccncc1NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCCC2)c1 Show InChI InChI=1S/C29H33N7O2/c1-19(2)12-27(37)32-25-8-9-30-17-26(25)33-29(38)28-23-14-21(6-7-24(23)34-35-28)22-13-20(15-31-16-22)18-36-10-4-3-5-11-36/h6-9,13-17,19H,3-5,10-12,18H2,1-2H3,(H,33,38)(H,34,35)(H,30,32,37)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445782 (US10669240, Compound 78) Show SMILES COc1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)ccn1 Show InChI InChI=1S/C25H26N6O2/c1-33-23-13-20(7-8-27-23)28-25(32)24-21-12-18(5-6-22(21)29-30-24)19-11-17(14-26-15-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,29,30)(H,27,28,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445802 (US10669240, Compound 98) Show SMILES Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1 Show InChI InChI=1S/C24H25N7O/c1-16-26-13-20(14-27-16)28-24(32)23-21-10-18(5-6-22(21)29-30-23)19-9-17(11-25-12-19)15-31-7-3-2-4-8-31/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,32)(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445749 (US10669240, Compound 45) Show SMILES FC(F)(F)c1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2)ccn1 Show InChI InChI=1S/C19H12F3N5O/c20-19(21,22)16-9-13(5-7-24-16)25-18(28)17-14-8-11(3-4-15(14)26-27-17)12-2-1-6-23-10-12/h1-10H,(H,26,27)(H,24,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445752 (US10669240, Compound 48) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(NC(=O)c3cc(F)ccc3F)c2)cn1 Show InChI InChI=1S/C30H26F2N8O2/c1-39-8-10-40(11-9-39)27-7-4-21(17-34-27)35-30(42)28-24-13-18(2-6-26(24)37-38-28)19-12-22(16-33-15-19)36-29(41)23-14-20(31)3-5-25(23)32/h2-7,12-17H,8-11H2,1H3,(H,35,42)(H,36,41)(H,37,38)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445767 (US10669240, Compound 63) Show SMILES O=C(Nc1cccnc1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCCC2)c1 Show InChI InChI=1S/C24H24N6O/c31-24(27-20-5-4-8-25-15-20)23-21-12-18(6-7-22(21)28-29-23)19-11-17(13-26-14-19)16-30-9-2-1-3-10-30/h4-8,11-15H,1-3,9-10,16H2,(H,27,31)(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445784 (US10669240, Compound 80) Show SMILES FC(F)(F)c1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)ccn1 Show InChI InChI=1S/C25H23F3N6O/c26-25(27,28)22-12-19(6-7-30-22)31-24(35)23-20-11-17(4-5-21(20)32-33-23)18-10-16(13-29-14-18)15-34-8-2-1-3-9-34/h4-7,10-14H,1-3,8-9,15H2,(H,32,33)(H,30,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445771 (US10669240, Compound 67) Show SMILES CC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1 Show InChI InChI=1S/C27H30N6O2/c1-18(2)35-25-9-7-22(16-29-25)30-27(34)26-23-13-20(6-8-24(23)31-32-26)21-12-19(14-28-15-21)17-33-10-4-3-5-11-33/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,30,34)(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445809 (US10669240, Compound 129) Show SMILES CC(C)NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCC2)c1 Show InChI InChI=1S/C21H25N5O/c1-14(2)23-21(27)20-18-10-16(5-6-19(18)24-25-20)17-9-15(11-22-12-17)13-26-7-3-4-8-26/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,27)(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445772 (US10669240, Compound 68 | US10669240, Compound 69) Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1 Show InChI InChI=1S/C25H26N6O2/c1-33-23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445811 (US10669240, Compound 132) Show SMILES CC(C)NC(=O)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCC(F)(F)CC2)c1 Show InChI InChI=1S/C22H25F2N5O/c1-14(2)26-21(30)20-18-10-16(3-4-19(18)27-28-20)17-9-15(11-25-12-17)13-29-7-5-22(23,24)6-8-29/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,26,30)(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM445757 (US10669240, Compound 53) Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C24H24N6O2/c1-32-22-7-5-19(14-26-22)27-24(31)23-20-11-17(4-6-21(20)28-29-23)18-10-16(12-25-13-18)15-30-8-2-3-9-30/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,27,31)(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair
Pulmonary surfactant-associated protein A1 (Human)	BDBM445758 (US10669240, Compound 54) Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1 Show InChI InChI=1S/C24H22F2N6O2/c1-34-21-5-3-18(12-28-21)29-23(33)22-19-9-16(2-4-20(19)30-31-22)17-8-15(10-27-11-17)13-32-7-6-24(25,26)14-32/h2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves f...				US Patent US10669240 (2020) BindingDB Entry DOI: 10.7270/Q2HQ42ZD
					More data for this Ligand-Target Pair

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