Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'tailleux' and Initial = 'a'   

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
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265949 (3-(3-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C24H24N2O2/c1-23(2)12-13-24(3,4)20-15-17(10-11-19(20)23)9-8-16-6-5-7-18(14-16)21-25-22(27)28-26-21/h5-7,10-11,14-15H,12-13H2,1-4H3,(H,25,26,27)	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	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265950 (5,5,8,8-tetramethyl-N-(4-(5-oxo-4,5-dihydro-1,2,4-...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C23H25N3O3/c1-22(2)11-12-23(3,4)18-13-15(7-10-17(18)22)20(27)24-16-8-5-14(6-9-16)19-25-21(28)29-26-19/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265951 (CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...) Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265917 (4-((4-tert-butylphenyl)ethynyl)benzoic acid | CHEM...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H18O2/c1-19(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18(20)21/h6-13H,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265918 (3-(4-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18-21-19(23)24-22-18/h6-13H,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265919 (3-(3-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1cccc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-11-9-14(10-12-17)7-8-15-5-4-6-16(13-15)18-21-19(23)24-22-18/h4-6,9-13H,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265920 (4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265921 (3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C24H24N2O2/c1-23(2)13-14-24(3,4)20-15-17(9-12-19(20)23)6-5-16-7-10-18(11-8-16)21-25-22(27)28-26-21/h7-12,15H,13-14H2,1-4H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265949 (3-(3-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C24H24N2O2/c1-23(2)12-13-24(3,4)20-15-17(10-11-19(20)23)9-8-16-6-5-7-18(14-16)21-25-22(27)28-26-21/h5-7,10-11,14-15H,12-13H2,1-4H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265950 (5,5,8,8-tetramethyl-N-(4-(5-oxo-4,5-dihydro-1,2,4-...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C23H25N3O3/c1-22(2)11-12-23(3,4)18-13-15(7-10-17(18)22)20(27)24-16-8-5-14(6-9-16)19-25-21(28)29-26-19/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50265951 (CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...) Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265917 (4-((4-tert-butylphenyl)ethynyl)benzoic acid | CHEM...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H18O2/c1-19(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18(20)21/h6-13H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265918 (3-(4-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18-21-19(23)24-22-18/h6-13H,1-3H3,(H,21,22,23)	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	n/a	n/a	820	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265919 (3-(3-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1cccc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-11-9-14(10-12-17)7-8-15-5-4-6-16(13-15)18-21-19(23)24-22-18/h4-6,9-13H,1-3H3,(H,21,22,23)	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	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265920 (4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265921 (3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C24H24N2O2/c1-23(2)13-14-24(3,4)20-15-17(9-12-19(20)23)6-5-16-7-10-18(11-8-16)21-25-22(27)28-26-21/h7-12,15H,13-14H2,1-4H3,(H,25,26,27)	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	n/a	n/a	26	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265949 (3-(3-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C24H24N2O2/c1-23(2)12-13-24(3,4)20-15-17(10-11-19(20)23)9-8-16-6-5-7-18(14-16)21-25-22(27)28-26-21/h5-7,10-11,14-15H,12-13H2,1-4H3,(H,25,26,27)	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	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265950 (5,5,8,8-tetramethyl-N-(4-(5-oxo-4,5-dihydro-1,2,4-...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C23H25N3O3/c1-22(2)11-12-23(3,4)18-13-15(7-10-17(18)22)20(27)24-16-8-5-14(6-9-16)19-25-21(28)29-26-19/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50265951 (CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...) Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1 Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265921 (3-(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronapht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C24H24N2O2/c1-23(2)13-14-24(3,4)20-15-17(9-12-19(20)23)6-5-16-7-10-18(11-8-16)21-25-22(27)28-26-21/h7-12,15H,13-14H2,1-4H3,(H,25,26,27)	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	n/a	n/a	91	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265917 (4-((4-tert-butylphenyl)ethynyl)benzoic acid | CHEM...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H18O2/c1-19(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18(20)21/h6-13H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265918 (3-(4-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)18-21-19(23)24-22-18/h6-13H,1-3H3,(H,21,22,23)	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	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265919 (3-(3-((4-tert-butylphenyl)ethynyl)phenyl)-1,2,4-ox...) Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1cccc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)17-11-9-14(10-12-17)7-8-15-5-4-6-16(13-15)18-21-19(23)24-22-18/h4-6,9-13H,1-3H3,(H,21,22,23)	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	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50265920 (4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266530 (CHEMBL4092629) Show SMILES COc1ccc(Cc2nnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C24H20F3N3O2S/c1-31-21-11-6-15(12-22(21)32-2)13-23-28-29-24(30(23)17-9-7-16(25)8-10-17)33-14-18-19(26)4-3-5-20(18)27/h3-12H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266530 (CHEMBL4092629) Show SMILES COc1ccc(Cc2nnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C24H20F3N3O2S/c1-31-21-11-6-15(12-22(21)32-2)13-23-28-29-24(30(23)17-9-7-16(25)8-10-17)33-14-18-19(26)4-3-5-20(18)27/h3-12H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266535 (CHEMBL4082345) Show SMILES CCn1c2nnc(SCc3ccc(cc3)C(F)(F)F)n2c2ccccc2c1=O Show InChI InChI=1S/C19H15F3N4OS/c1-2-25-16(27)14-5-3-4-6-15(14)26-17(25)23-24-18(26)28-11-12-7-9-13(10-8-12)19(20,21)22/h3-10H,2,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266536 (CHEMBL4085664 | US10323016, Example 1) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2ccccc2)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN3O2S/c1-28(21-13-14-22(30-2)23(15-21)31-3)24-16-27-25(32-17-18-7-5-4-6-8-18)29(24)20-11-9-19(26)10-12-20/h4-16H,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266537 (CHEMBL4075688 | US10323016, Example 3) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2ccccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H23F2N3O2S/c1-29(20-12-13-22(31-2)23(14-20)32-3)24-15-28-25(30(24)19-10-8-18(26)9-11-19)33-16-17-6-4-5-7-21(17)27/h4-15H,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266538 (CHEMBL4084668 | US10323016, Example 4) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22F3N3O2S/c1-30(18-11-12-22(32-2)23(13-18)33-3)24-14-29-25(31(24)17-9-7-16(26)8-10-17)34-15-19-20(27)5-4-6-21(19)28/h4-14H,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266540 (CHEMBL4102610 | US10323016, Example 12) Show SMILES COc1ccc(cc1OC)N(C)c1nnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H21F3N4O2S/c1-30(17-11-12-21(32-2)22(13-17)33-3)23-28-29-24(31(23)16-9-7-15(25)8-10-16)34-14-18-19(26)5-4-6-20(18)27/h4-13H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266541 (CHEMBL4069569) Show SMILES COC(=O)CCc1nc(SCc2c(F)cccc2F)n(c1N(C)c1ccc(OC)c(OC)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28F3N3O4S/c1-34(20-12-14-25(37-2)26(16-20)38-3)28-24(13-15-27(36)39-4)33-29(35(28)19-10-8-18(30)9-11-19)40-17-21-22(31)6-5-7-23(21)32/h5-12,14,16H,13,15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266542 (CHEMBL4098315) Show SMILES COc1ccc(cc1OC)N(C)c1c(CCCCN)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C29H31F3N4O2S/c1-35(21-14-15-26(37-2)27(17-21)38-3)28-25(9-4-5-16-33)34-29(36(28)20-12-10-19(30)11-13-20)39-18-22-23(31)7-6-8-24(22)32/h6-8,10-15,17H,4-5,9,16,18,33H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.50E+3	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266543 (CHEMBL4080290) Show SMILES COc1ccc(cc1OC)N(C)c1c(C)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C26H24F3N3O2S/c1-16-25(31(2)19-12-13-23(33-3)24(14-19)34-4)32(18-10-8-17(27)9-11-18)26(30-16)35-15-20-21(28)6-5-7-22(20)29/h5-14H,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	337	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266544 (CHEMBL4060410) Show SMILES N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C28H28F3N3O6S2/c1-33(20-9-10-25(38-2)26(13-20)39-3)27-16-32-28(34(27)19-7-5-18(29)6-8-19)41-17-22-23(30)14-21(15-24(22)31)40-11-4-12-42(35,36)37/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266545 (CHEMBL4078612) Show SMILES [O-]C=O.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCC[N+]34CCN(CC3)CC4)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C34H39F3N5O3S/c1-39(26-9-10-31(43-2)32(19-26)44-3)33-22-38-34(41(33)25-7-5-24(35)6-8-25)46-23-28-29(36)20-27(21-30(28)37)45-18-4-14-42-15-11-40(12-16-42)13-17-42/h5-10,19-22H,4,11-18,23H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	238	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266552 (CHEMBL4094487 | US10323016, Example 20) Show SMILES COc1cc(ccc1F)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H24F3N3O3S/c1-31(16-9-11-22(33-2)24(12-16)35-4)25-14-30-26(36-15-18-19(27)6-5-7-20(18)28)32(25)17-8-10-21(29)23(13-17)34-3/h5-14H,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266556 (CHEMBL4073081 | US10323016, Example 5) Show SMILES COc1cc(ccc1Cl)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H19ClF3N3OS/c1-30(17-10-11-19(25)22(12-17)32-2)23-13-29-24(31(23)16-8-6-15(26)7-9-16)33-14-18-20(27)4-3-5-21(18)28/h3-13H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266557 (CHEMBL4063932 | US10323016, Example 16) Show SMILES COc1cccc(c1)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H20F3N3OS/c1-29(18-5-3-6-19(13-18)31-2)23-14-28-24(30(23)17-11-9-16(25)10-12-17)32-15-20-21(26)7-4-8-22(20)27/h3-14H,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266558 (CHEMBL4088938 | US10323016, Example 18) Show SMILES CN(c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H16Cl2F3N3S/c1-30(16-9-10-18(24)19(25)11-16)22-12-29-23(31(22)15-7-5-14(26)6-8-15)32-13-17-20(27)3-2-4-21(17)28/h2-12H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	507	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266559 (CHEMBL4067717) Show SMILES COc1ccc(CN(C)c2cnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C26H24F3N3O2S/c1-31(15-17-7-12-23(33-2)24(13-17)34-3)25-14-30-26(32(25)19-10-8-18(27)9-11-19)35-16-20-21(28)5-4-6-22(20)29/h4-14H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266560 (CHEMBL4104359 | US10323016, Example 6) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CCN(C)C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H29F3N4O2S/c1-35(2)14-6-7-20-15-25(32)24(26(33)16-20)19-40-30-34-18-29(37(30)22-10-8-21(31)9-11-22)36(3)23-12-13-27(38-4)28(17-23)39-5/h8-13,15-18H,14,19H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266561 (CHEMBL4096633) Show SMILES [O-]C=O.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CC[N+](C)(C)C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H32F3N4O2S/c1-36(24-13-14-28(39-5)29(18-24)40-6)30-19-35-31(37(30)23-11-9-22(32)10-12-23)41-20-25-26(33)16-21(17-27(25)34)8-7-15-38(2,3)4/h9-14,16-19H,15,20H2,1-6H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266545 (CHEMBL4078612) Show SMILES [O-]C=O.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCC[N+]34CCN(CC3)CC4)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C34H39F3N5O3S/c1-39(26-9-10-31(43-2)32(19-26)44-3)33-22-38-34(41(33)25-7-5-24(35)6-8-25)46-23-28-29(36)20-27(21-30(28)37)45-18-4-14-42-15-11-40(12-16-42)13-17-42/h5-10,19-22H,4,11-18,23H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.80	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair

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