Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'festa' 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
Bile acid receptor (Homo sapiens (Human))	BDBM50535422 (CHEMBL4527193) Show SMILES C1CC[C@H](NC1)c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C17H17N3O/c1-2-6-13-11-14(9-8-12(13)5-1)16-19-17(21-20-16)15-7-3-4-10-18-15/h1-2,5-6,8-9,11,15,18H,3-4,7,10H2/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535427 (CHEMBL4464270) Show SMILES C1CC(CCN1)c1nc(no1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H17N3O/c1-2-4-14-11-15(6-5-12(14)3-1)16-19-17(21-20-16)13-7-9-18-10-8-13/h1-6,11,13,18H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535416 (CHEMBL4451559) Show SMILES OCCCCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H25N3O2/c25-14-4-3-11-24-12-9-17(10-13-24)21-22-20(23-26-21)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-8,15,17,25H,3-4,9-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50577910 (CHEMBL4866994) Show SMILES Oc1c(F)c(F)cc(-c2nc(no2)-c2ccc(cc2)-c2ccsc2)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in A23187/AA-stimulated human intact neutrophils assessed as reduction in LTB4/5-HETE formation measured after 20 mins by RP-HPLC ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113693 BindingDB Entry DOI: 10.7270/Q2XD15GV
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50577910 (CHEMBL4866994) Show SMILES Oc1c(F)c(F)cc(-c2nc(no2)-c2ccc(cc2)-c2ccsc2)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mPGES-1 obtained from IL-beta stimulated human A549 cells microsomes assessed as residual activity by measuring conversion of PGH2 to P...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113693 BindingDB Entry DOI: 10.7270/Q2XD15GV
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535421 (CHEMBL4519624) Show SMILES OCCCCN1CCCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H25N3O2/c25-14-6-5-13-24-12-4-3-9-19(24)21-22-20(23-26-21)18-11-10-16-7-1-2-8-17(16)15-18/h1-2,7-8,10-11,15,19,25H,3-6,9,12-14H2/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535420 (CHEMBL4541043) Show SMILES OCCCCCN1CCCCC1c1nc(no1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H27N3O2/c26-15-7-1-5-13-25-14-6-4-10-20(25)22-23-21(24-27-22)19-12-11-17-8-2-3-9-18(17)16-19/h2-3,8-9,11-12,16,20,26H,1,4-7,10,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535425 (CHEMBL4562404) Show SMILES OCCCN1CCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H21N3O2/c23-12-4-11-22-10-3-7-17(22)19-20-18(21-24-19)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17,23H,3-4,7,10-12H2/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535417 (CHEMBL4575954) Show SMILES OCCCCCN1CCCC1c1nc(no1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H25N3O2/c25-14-5-1-4-12-24-13-6-9-19(24)21-22-20(23-26-21)18-11-10-16-7-2-3-8-17(16)15-18/h2-3,7-8,10-11,15,19,25H,1,4-6,9,12-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535423 (CHEMBL4573467) Show SMILES OC(=O)CCCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23N3O3/c25-19(26)6-3-11-24-12-9-16(10-13-24)21-22-20(23-27-21)18-8-7-15-4-1-2-5-17(15)14-18/h1-2,4-5,7-8,14,16H,3,6,9-13H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535426 (CHEMBL4539531) Show SMILES OCCCN1CCCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H23N3O2/c24-13-5-12-23-11-4-3-8-18(23)20-21-19(22-25-20)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14,18,24H,3-5,8,11-13H2/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535419 (CHEMBL4464005) Show SMILES OC(=O)CCN1CCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H19N3O3/c23-17(24)9-11-22-10-3-6-16(22)19-20-18(21-25-19)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,12,16H,3,6,9-11H2,(H,23,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535418 (CHEMBL4457628) Show SMILES OCCCCN1CCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H23N3O2/c24-13-4-3-11-23-12-5-8-18(23)20-21-19(22-25-20)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14,18,24H,3-5,8,11-13H2/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535428 (CHEMBL4452655) Show SMILES C1CN[C@@H](C1)c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C16H15N3O/c1-2-5-12-10-13(8-7-11(12)4-1)15-18-16(20-19-15)14-6-3-9-17-14/h1-2,4-5,7-8,10,14,17H,3,6,9H2/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50535424 (CHEMBL4564891) Show SMILES OCCCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c24-13-3-10-23-11-8-16(9-12-23)20-21-19(22-25-20)18-7-6-15-4-1-2-5-17(15)14-18/h1-2,4-7,14,16,24H,3,8-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
					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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540717 (CHEMBL4643260) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C23H37NO2/c1-14(8-11-24)17-4-5-18-16-13-21(26)20-12-15(25)6-9-23(20,3)19(16)7-10-22(17,18)2/h14-21,25-26H,4-10,12-13H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21+,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540718 (CHEMBL4635684) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](C)(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C24H39NO2/c1-15(9-12-25)18-5-6-19-17-14-24(4,27)21-13-16(26)7-10-23(21,3)20(17)8-11-22(18,19)2/h15-21,26-27H,5-11,13-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540719 (CHEMBL4643368) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](C)(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C24H39NO2/c1-15(9-12-25)18-5-6-19-17-14-24(4,27)21-13-16(26)7-10-23(21,3)20(17)8-11-22(18,19)2/h15-21,26-27H,5-11,13-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540720 (CHEMBL4647613) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C25H41NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h16-22,27-28H,5-12,14-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540721 (CHEMBL4646200) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C25H41NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h16-22,27-28H,5-12,14-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	660	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540722 (CHEMBL4648823) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CCC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C26H43NO2/c1-5-11-26(29)16-19-21-7-6-20(17(2)10-14-27)24(21,3)13-9-22(19)25(4)12-8-18(28)15-23(25)26/h17-23,28-29H,5-13,15-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540723 (CHEMBL4638053) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C(C)C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C26H43NO2/c1-16(2)26(29)15-19-21-7-6-20(17(3)10-13-27)24(21,4)12-9-22(19)25(5)11-8-18(28)14-23(25)26/h16-23,28-29H,6-12,14-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540724 (CHEMBL4646264) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C25H39NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h5,16-22,27-28H,1,6-12,14-15H2,2-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540725 (CHEMBL4637054) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CCCC=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C28H45NO2/c1-5-6-7-13-28(31)18-21-23-9-8-22(19(2)12-16-29)26(23,3)15-11-24(21)27(4)14-10-20(30)17-25(27)28/h5,19-25,30-31H,1,6-15,17-18H2,2-4H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540726 (CHEMBL4635505) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(c4ccccc4)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C29H41NO2/c1-19(13-16-30)23-9-10-24-22-18-29(32,20-7-5-4-6-8-20)26-17-21(31)11-14-28(26,3)25(22)12-15-27(23,24)2/h4-8,19,21-26,31-32H,9-15,17-18H2,1-3H3/t19-,21-,22+,23-,24+,25+,26-,27-,28-,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540727 (CHEMBL4642126) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(CC=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C26H41NO2/c1-5-11-26(29)16-19-21-7-6-20(17(2)10-14-27)24(21,3)13-9-22(19)25(4)12-8-18(28)15-23(25)26/h5,17-23,28-29H,1,6-13,15-16H2,2-4H3/t17-,18-,19+,20-,21+,22+,23-,24-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540728 (CHEMBL4644760) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(Cc4ccccc4)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C30H43NO2/c1-20(13-16-31)24-9-10-25-23-19-30(33,18-21-7-5-4-6-8-21)27-17-22(32)11-14-29(27,3)26(23)12-15-28(24,25)2/h4-8,20,22-27,32-33H,9-15,17-19H2,1-3H3/t20-,22-,23+,24-,25+,26+,27-,28-,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.33E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					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
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
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
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))	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
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
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
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))	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
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))	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
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)