Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'd''amore' and Initial = 'c'   

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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50018938 (CHEMBL1445606) Show SMILES Cc1cc(no1)-c1onc(C)c1C(=O)Sc1ccc(C)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-9-4-6-12(7-5-9)22-16(19)14-11(3)17-21-15(14)13-8-10(2)20-18-13/h4-8H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Antagonist activity at PXR (unknown origin) transfected in human HepG2 cells assessed as inhibition of rifampicin-induced reporter gene transcription				J Med Chem 57: 4819-33 (2014) Article DOI: 10.1021/jm500351m BindingDB Entry DOI: 10.7270/Q2XD137W
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50130734 (CHEMBL3632931) Show SMILES Cc1cc(no1)-c1onc(C)c1C(=O)Sc1ccccc1 Show InChI InChI=1S/C15H12N2O3S/c1-9-8-12(17-19-9)14-13(10(2)16-20-14)15(18)21-11-6-4-3-5-7-11/h3-8H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Antagonist activity at PXR (unknown origin)				Eur J Med Chem 103: 551-62 (2015) Article DOI: 10.1016/j.ejmech.2015.09.005 BindingDB Entry DOI: 10.7270/Q2N87CMJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50018939 (CHEMBL3287132) Show SMILES Cc1c([nH]c2ccc(O)cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H13NO3/c1-8-11-7-10(17)3-4-12(11)16-15(8)9-2-5-13(18)14(19)6-9/h2-7,16-19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Antagonist activity at human PXR transfected in human HepG2 cells co-transfected with pSG5-RXR/pCMV-beta-galactosidase/p(CYP3A4)-TK-Luc assessed as i...				J Med Chem 57: 4819-33 (2014) Article DOI: 10.1021/jm500351m BindingDB Entry DOI: 10.7270/Q2XD137W
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM23451 (5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}....) Show SMILES Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Antagonist activity at human PXR transfected in African green monkey CV1 cells assessed as inhibition of SR12813-induced transactivation after 24 hrs...				J Med Chem 57: 4819-33 (2014) Article DOI: 10.1021/jm500351m BindingDB Entry DOI: 10.7270/Q2XD137W
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50018940 (CHEMBL3287136) Show SMILES Cc1c([nH]c2ccc(OCCCO)cc12)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H19NO4/c1-11-14-10-13(23-8-2-7-20)4-5-15(14)19-18(11)12-3-6-16(21)17(22)9-12/h3-6,9-10,19-22H,2,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Antagonist activity at human PXR transfected in human HepG2 cells co-transfected with pSG5-RXR/pCMV-beta-galactosidase/p(CYP3A4)-TK-Luc assessed as i...				J Med Chem 57: 4819-33 (2014) Article DOI: 10.1021/jm500351m BindingDB Entry DOI: 10.7270/Q2XD137W
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM20625 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Antagonist activity at full length human PXR transfected in human HepG2 cells assessed as reduction in rifaximin-induced receptor transactivation aft...				Eur J Med Chem 103: 551-62 (2015) Article DOI: 10.1016/j.ejmech.2015.09.005 BindingDB Entry DOI: 10.7270/Q2N87CMJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50130718 (CHEMBL3632924) Show SMILES CC\C(=C(\CC)c1ccc(OCCO)cc1)c1ccc(OCCO)cc1 Show InChI InChI=1S/C22H28O4/c1-3-21(17-5-9-19(10-6-17)25-15-13-23)22(4-2)18-7-11-20(12-8-18)26-16-14-24/h5-12,23-24H,3-4,13-16H2,1-2H3/b22-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Antagonist activity at full length human PXR transfected in human HepG2 cells assessed as reduction in rifaximin-induced receptor transactivation aft...				Eur J Med Chem 103: 551-62 (2015) Article DOI: 10.1016/j.ejmech.2015.09.005 BindingDB Entry DOI: 10.7270/Q2N87CMJ
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50098805 (CHEMBL3330019) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCCC(O)=O |r| Show InChI InChI=1S/C26H44O4/c1-16(6-4-5-7-23(29)30)19-8-9-20-24-21(11-13-26(19,20)3)25(2)12-10-18(27)14-17(25)15-22(24)28/h16-22,24,27-28H,4-15H2,1-3H3,(H,29,30)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 expressed in HEK293T cells assessed as stimulation of cAMP response element-mediated receptor transactivation by luc...				J Med Chem 57: 7687-701 (2014) Article DOI: 10.1021/jm500889f BindingDB Entry DOI: 10.7270/Q2WQ05J5
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50130717 (CHEBI:34701 | CHEMBL113650) Show SMILES CC\C(=C(\CC)c1ccc(OC)cc1)c1ccc(OC)cc1 Show InChI InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Transactivation of full length human PXR transfected in human HepG2 cells after 18 hrs by luciferase reporter assay relative to rifaximin				Eur J Med Chem 103: 551-62 (2015) Article DOI: 10.1016/j.ejmech.2015.09.005 BindingDB Entry DOI: 10.7270/Q2N87CMJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50347620 (RIFAXIMIN | Rifacol | Rifaxidin) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:32,t:3,34| Show InChI InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Transactivation of full length human PXR transfected in human HepG2 cells after 18 hrs by luciferase reporter assay relative to rifaximin				Eur J Med Chem 103: 551-62 (2015) Article DOI: 10.1016/j.ejmech.2015.09.005 BindingDB Entry DOI: 10.7270/Q2N87CMJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50347619 (CHEMBL1649712 | Solomonsterol A) Show SMILES C[C@H](CCCOS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O |r| Show InChI InChI=1S/C24H42O12S3/c1-15(5-4-12-34-37(25,26)27)18-8-9-19-17-7-6-16-13-21(35-38(28,29)30)22(36-39(31,32)33)14-24(16,3)20(17)10-11-23(18,19)2/h15-22H,4-14H2,1-3H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)/p-3/t15-,16+,17+,18-,19+,20+,21+,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Universita di Napoli Federico II Curated by ChEMBL					Assay Description Transactivation of human PXR expressed in HepG2 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 54: 4590-9 (2011) Article DOI: 10.1021/jm200241s BindingDB Entry DOI: 10.7270/Q2W37WP3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50347620 (RIFAXIMIN | Rifacol | Rifaxidin) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:32,t:3,34| Show InChI InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Universita di Napoli Federico II Curated by ChEMBL					Assay Description Transactivation of human PXR expressed in HepG2 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 54: 4590-9 (2011) Article DOI: 10.1021/jm200241s BindingDB Entry DOI: 10.7270/Q2W37WP3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay				J Med Chem 55: 8303-17 (2012) Article DOI: 10.1021/jm300911g BindingDB Entry DOI: 10.7270/Q24F1RWG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50398351 (CHEMBL2178583) Show SMILES CC[C@H](C[C@@]1(CC)O\C(=C/C(=O)OC)C(CC)=C1)\C=C\[C@H](C)O |r,c:16| Show InChI InChI=1S/C19H30O4/c1-6-15(10-9-14(4)20)12-19(8-3)13-16(7-2)17(23-19)11-18(21)22-5/h9-11,13-15,20H,6-8,12H2,1-5H3/b10-9+,17-11-/t14-,15-,19+/m0/s1	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+4	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay				J Med Chem 55: 8303-17 (2012) Article DOI: 10.1021/jm300911g BindingDB Entry DOI: 10.7270/Q24F1RWG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50398352 (CHEMBL2178586) Show SMILES CCC(C[C@@]1(CC)OC(=O)C(CC)=C1)=CCC(C)=O |r,w:14.15,c:12| Show InChI InChI=1S/C16H24O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h9,11H,5-8,10H2,1-4H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay				J Med Chem 55: 8303-17 (2012) Article DOI: 10.1021/jm300911g BindingDB Entry DOI: 10.7270/Q24F1RWG
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50398353 (CHEMBL2178596) Show SMILES CCC(C[C@@]1(CC)OC(=CC(=O)OC)C(CC)=C1)=CCC(C)=O |r,w:18.19,9.9,c:16| Show InChI InChI=1S/C19H28O4/c1-6-15(10-9-14(4)20)12-19(8-3)13-16(7-2)17(23-19)11-18(21)22-5/h10-11,13H,6-9,12H2,1-5H3/t19-/m1/s1	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	5.00E+3	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay				J Med Chem 55: 8303-17 (2012) Article DOI: 10.1021/jm300911g BindingDB Entry DOI: 10.7270/Q24F1RWG
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50448129 (CHEMBL3122144) Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]1-[#6]-[#6]-[#6]2=[#6]-3-[#6]-[#6]-[#6@H]4-[#6](=[#6])-[#6@@H](-[#8])-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6] |r,c:11| Show InChI InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19,22-23,25-26,29H,4,7,9-17H2,1-3,5-6H3/t19-,22-,23+,25+,26+,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Agonist activity at human full-length PXR transfected in human HepG2 cells co-transfected with pSG5-RXR assessed as induction of transactivation by d...				Eur J Med Chem 73: 126-34 (2014) Article DOI: 10.1016/j.ejmech.2013.12.005 BindingDB Entry DOI: 10.7270/Q2H70H9X
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50347620 (RIFAXIMIN | Rifacol | Rifaxidin) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:32,t:3,34| Show InChI InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Agonist activity at human full-length PXR transfected in human HepG2 cells co-transfected with pSG5-RXR assessed as induction of transactivation by d...				Eur J Med Chem 73: 126-34 (2014) Article DOI: 10.1016/j.ejmech.2013.12.005 BindingDB Entry DOI: 10.7270/Q2H70H9X
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50448128 (CHEMBL3122141) Show SMILES CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,c:12| Show InChI InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18-21,23-24,26-27,30H,8-17H2,1-7H3/t19-,20-,21+,23-,24+,26+,27-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Agonist activity at human full-length PXR transfected in human HepG2 cells co-transfected with pSG5-RXR assessed as induction of transactivation by d...				Eur J Med Chem 73: 126-34 (2014) Article DOI: 10.1016/j.ejmech.2013.12.005 BindingDB Entry DOI: 10.7270/Q2H70H9X
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50434773 (CHEMBL2386488) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@H](CCCO)CC[C@H]21 |r| Show InChI InChI=1S/C27H44O2/c1-25(2)14-6-15-27(4)23(25)12-16-26(3)22(10-8-20-13-18-29-19-20)21(7-5-17-28)9-11-24(26)27/h13,18-19,21-24,28H,5-12,14-17H2,1-4H3/t21-,22+,23+,24+,26-,27+/m1/s1	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	3.00E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Transactivation of FXR (unknown origin) expressed in human HepG2 cells co-expressing RXR assessed as beta-galactosidase activity after 18 hrs by luci...				J Med Chem 56: 4701-17 (2013) Article DOI: 10.1021/jm400419e BindingDB Entry DOI: 10.7270/Q2HM59TV
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50434774 (CHEMBL2386485) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@@H](O)CC[C@H]21 |r| Show InChI InChI=1S/C24H38O2/c1-22(2)12-5-13-24(4)20(22)10-14-23(3)18(19(25)8-9-21(23)24)7-6-17-11-15-26-16-17/h11,15-16,18-21,25H,5-10,12-14H2,1-4H3/t18-,19-,20-,21-,23+,24-/m0/s1	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	2.50E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Antagonist activity at FXR (unknown origin) expressed in human HepG2 cells co-expressing RXR assessed as inhibition of CDCA-induced transactivation a...				J Med Chem 56: 4701-17 (2013) Article DOI: 10.1021/jm400419e BindingDB Entry DOI: 10.7270/Q2HM59TV
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50098804 (CHEMBL3329940) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCO |r| Show InChI InChI=1S/C23H40O3/c1-14(8-11-24)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(25)12-15(22)13-20(21)26/h14-21,24-26H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20+,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 expressed in HEK293T cells assessed as stimulation of cAMP response element-mediated receptor transactivation by luc...				J Med Chem 57: 7687-701 (2014) Article DOI: 10.1021/jm500889f BindingDB Entry DOI: 10.7270/Q2WQ05J5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50028027 (CHEMBL3342086) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCO |r| Show InChI InChI=1S/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at GP-BAR1 (unknown origin) in human HEK293 cells assessed as receptor transactivation at 100 nM to 50 uM incubated for 16 hrs by CR...				J Med Chem 57: 8477-95 (2014) Article DOI: 10.1021/jm501273r BindingDB Entry DOI: 10.7270/Q2RF5WMN
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50028028 (CHEMBL3342082) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCO |r| Show InChI InChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23+,24+,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at GP-BAR1 (unknown origin) in human HEK293 cells assessed as receptor transactivation at 100 nM to 50 uM incubated for 16 hrs by CR...				J Med Chem 57: 8477-95 (2014) Article DOI: 10.1021/jm501273r BindingDB Entry DOI: 10.7270/Q2RF5WMN
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50028027 (CHEMBL3342086) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCO |r| Show InChI InChI=1S/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin) expressed in human HepG2 cells assessed as receptor transactivation at 100 nM to 50 uM incubated for 16 hrs ...				J Med Chem 57: 8477-95 (2014) Article DOI: 10.1021/jm501273r BindingDB Entry DOI: 10.7270/Q2RF5WMN
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50028026 (CHEMBL3342065) Show SMILES [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCOS([O-])(=O)=O |r| Show InChI InChI=1S/C24H42O5S/c1-16(7-6-14-29-30(26,27)28)18-9-10-19-22-20(11-13-24(18,19)3)23(2)12-5-4-8-17(23)15-21(22)25/h16-22,25H,4-15H2,1-3H3,(H,26,27,28)/p-1/t16-,17+,18-,19+,20+,21-,22+,23+,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin) expressed in human HepG2 cells assessed as receptor transactivation at 100 nM to 50 uM incubated for 16 hrs ...				J Med Chem 57: 8477-95 (2014) Article DOI: 10.1021/jm501273r BindingDB Entry DOI: 10.7270/Q2RF5WMN
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50351162 (CHEMBL1818098 | CHEMBL1818099) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@H]21)=C\OS([O-])(=O)=O |r| Show InChI InChI=1S/C25H38O5S/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28)/p-1/b19-17+/t20-,21-,22-,24+,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Antagonist activity at FXR (unknown origin) expressed in human HepG2 cells co-expressing RXR assessed as inhibition of CDCA-induced transactivation a...				J Med Chem 56: 4701-17 (2013) Article DOI: 10.1021/jm400419e BindingDB Entry DOI: 10.7270/Q2HM59TV
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50011369 (CHEMBL3260994) Show SMILES [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCOS([O-])(=O)=O |r| Show InChI InChI=1S/C26H46O6S.Na/c1-5-18-22-15-17(27)10-12-26(22,4)21-11-13-25(3)19(8-9-20(25)23(21)24(18)28)16(2)7-6-14-32-33(29,30)31;/h16-24,27-28H,5-15H2,1-4H3,(H,29,30,31);/q;+1/p-1/t16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-;/m1./s1	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
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Transactivation of human FXR transfected in human HepG2 cells by beta-galactosidase reporter gene assay				J Med Chem 57: 937-54 (2014) Article DOI: 10.1021/jm401873d BindingDB Entry DOI: 10.7270/Q2RR20S3
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50011369 (CHEMBL3260994) Show SMILES [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCOS([O-])(=O)=O |r| Show InChI InChI=1S/C26H46O6S.Na/c1-5-18-22-15-17(27)10-12-26(22,4)21-11-13-25(3)19(8-9-20(25)23(21)24(18)28)16(2)7-6-14-32-33(29,30)31;/h16-24,27-28H,5-15H2,1-4H3,(H,29,30,31);/q;+1/p-1/t16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Transactivation of human GP-BAR1 transfected in HEK293T cells assessed as induction of intracellular cAMP production after 18 hrs by cAMP responsive ...				J Med Chem 57: 937-54 (2014) Article DOI: 10.1021/jm401873d BindingDB Entry DOI: 10.7270/Q2RR20S3
					More data for this Ligand-Target Pair