Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'cheewatrakoolpong' and Initial = 'b'   

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 salt export pump (Homo sapiens (Human))	BDBM50367222 (CHEMBL4162778) Show SMILES [Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(nc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r| Show InChI InChI=1S/C28H28FNO4.Na/c1-16(28(31)32)27(18-4-5-18)19-6-3-17-8-12-25(34-26(17)13-19)24-11-7-20(15-30-24)22-14-21(33-2)9-10-23(22)29;/h3,6-7,9-11,13-16,18,25,27H,4-5,8,12H2,1-2H3,(H,31,32);/q;+1/p-1/t16-,25?,27-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus infected Sf9 insect cell membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholic ...				ACS Med Chem Lett 9: 685-690 (2018) Article DOI: 10.1021/acsmedchemlett.8b00149 BindingDB Entry DOI: 10.7270/Q29C70ZD
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50367218 (CHEMBL4159416) Show SMILES [Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(cc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r| Show InChI InChI=1S/C29H29FO4.Na/c1-17(29(31)32)28(21-8-9-21)22-10-7-20-11-14-26(34-27(20)15-22)19-5-3-18(4-6-19)24-16-23(33-2)12-13-25(24)30;/h3-7,10,12-13,15-17,21,26,28H,8-9,11,14H2,1-2H3,(H,31,32);/q;+1/p-1/t17-,26?,28-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus infected Sf9 insect cell membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholic ...				ACS Med Chem Lett 9: 685-690 (2018) Article DOI: 10.1021/acsmedchemlett.8b00149 BindingDB Entry DOI: 10.7270/Q29C70ZD
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50367220 (CHEMBL4168422) Show SMILES [Na;v0+].[#6]-[#8]-c1cc(c(F)cn1)-c1ccc(nc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H27FN2O4.Na/c1-15(27(31)32)26(17-4-5-17)18-6-3-16-8-10-23(34-24(16)11-18)22-9-7-19(13-29-22)20-12-25(33-2)30-14-21(20)28;/h3,6-7,9,11-15,17,23,26H,4-5,8,10H2,1-2H3,(H,31,32);/q;+1/p-1/t15-,23?,26-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus infected Sf9 insect cell membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholic ...				ACS Med Chem Lett 9: 685-690 (2018) Article DOI: 10.1021/acsmedchemlett.8b00149 BindingDB Entry DOI: 10.7270/Q29C70ZD
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50367219 (CHEMBL4165147) Show SMILES [Na;v0+].[#6]-[#8]-c1cc(ccn1)-c1ccc(-[#6@@H]-2-[#6]-[#6]-c3ccc(cc3-[#8]-2)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-2-[#6]-[#6]-2)c(F)c1 |r| Show InChI InChI=1S/C28H28FNO4.Na/c1-16(28(31)32)27(18-4-5-18)21-6-3-17-8-10-24(34-25(17)14-21)22-9-7-19(13-23(22)29)20-11-12-30-26(15-20)33-2;/h3,6-7,9,11-16,18,24,27H,4-5,8,10H2,1-2H3,(H,31,32);/q;+1/p-1/t16-,24-,27-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus infected Sf9 insect cell membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholic ...				ACS Med Chem Lett 9: 685-690 (2018) Article DOI: 10.1021/acsmedchemlett.8b00149 BindingDB Entry DOI: 10.7270/Q29C70ZD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50384612 (CHEMBL2036958) Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1 Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				ACS Med Chem Lett 3: 63-68 (2012) Article DOI: 10.1021/ml200243g BindingDB Entry DOI: 10.7270/Q29K4C8X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50384612 (CHEMBL2036958) Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1 Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				ACS Med Chem Lett 3: 63-68 (2012) Article DOI: 10.1021/ml200243g BindingDB Entry DOI: 10.7270/Q29K4C8X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50384612 (CHEMBL2036958) Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1 Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				ACS Med Chem Lett 3: 63-68 (2012) Article DOI: 10.1021/ml200243g BindingDB Entry DOI: 10.7270/Q29K4C8X
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50337038 (5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)	PDB MMDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50337038 (5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)	PDB MMDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337038 (5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50337038 (5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)	PDB MMDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50384612 (CHEMBL2036958) Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1 Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				ACS Med Chem Lett 3: 63-68 (2012) Article DOI: 10.1021/ml200243g BindingDB Entry DOI: 10.7270/Q29K4C8X
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50337024 (2-(difluoromethyl)-5-(3-(1-methylcyclopropyl)propy...) Show SMILES CC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1 Show InChI InChI=1S/C15H16F2N2O3/c1-15(5-6-15)4-2-3-8-7-9(20)22-14-10(8)13(21)18-12(19-14)11(16)17/h7,11H,2-6H2,1H3,(H,18,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human GPR109b				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50337038 (5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human GPR109b				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human GPR109b				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50336998 (2-(difluoromethyl)-5-(3-(1-(hydroxymethyl)cyclopro...) Show SMILES OCC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1 Show InChI InChI=1S/C15H16F2N2O4/c16-11(17)12-18-13(22)10-8(6-9(21)23-14(10)19-12)2-1-3-15(7-20)4-5-15/h6,11,20H,1-5,7H2,(H,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50336999 (5-(cyclopropylmethyl)-2-(difluoromethyl)-3H-pyrano...) Show SMILES FC(F)c1nc2oc(=O)cc(CC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C12H10F2N2O3/c13-9(14)10-15-11(18)8-6(3-5-1-2-5)4-7(17)19-12(8)16-10/h4-5,9H,1-3H2,(H,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337000 (5-cyclopropyl-2-(difluoromethyl)-3H-pyrano[2,3-d]p...) Show SMILES FC(F)c1nc2oc(=O)cc(C3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C11H8F2N2O3/c12-8(13)9-14-10(17)7-5(4-1-2-4)3-6(16)18-11(7)15-9/h3-4,8H,1-2H2,(H,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337001 (5-cyclobutyl-2-(difluoromethyl)-3H-pyrano[2,3-d]py...) Show SMILES FC(F)c1nc2oc(=O)cc(C3CCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C12H10F2N2O3/c13-9(14)10-15-11(18)8-6(5-2-1-3-5)4-7(17)19-12(8)16-10/h4-5,9H,1-3H2,(H,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337002 (2-(difluoro(phenyl)methyl)-5-ethyl-3H-pyrano[2,3-d...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)(F)c1ccccc1 Show InChI InChI=1S/C16H12F2N2O3/c1-2-9-8-11(21)23-14-12(9)13(22)19-15(20-14)16(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337003 (5-ethyl-2-(phenylsulfonylmethyl)-3H-pyrano[2,3-d]p...) Show SMILES CCc1cc(=O)oc2nc(CS(=O)(=O)c3ccccc3)[nH]c(=O)c12 Show InChI InChI=1S/C16H14N2O5S/c1-2-10-8-13(19)23-16-14(10)15(20)17-12(18-16)9-24(21,22)11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337004 (5-ethyl-2-(piperidin-1-ylmethyl)-3H-pyrano[2,3-d]p...) Show SMILES CCc1cc(=O)oc2nc(CN3CCCCC3)[nH]c(=O)c12 Show InChI InChI=1S/C15H19N3O3/c1-2-10-8-12(19)21-15-13(10)14(20)16-11(17-15)9-18-6-4-3-5-7-18/h8H,2-7,9H2,1H3,(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337005 (5-ethyl-4,7-dioxo-4,7-dihydro-3H-pyrano[2,3-d]pyri...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C#N Show InChI InChI=1S/C10H7N3O3/c1-2-5-3-7(14)16-10-8(5)9(15)12-6(4-11)13-10/h3H,2H2,1H3,(H,12,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337006 (CHEMBL1672763 | methyl 5-ethyl-4,7-dioxo-4,7-dihyd...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(=O)OC Show InChI InChI=1S/C11H10N2O5/c1-3-5-4-6(14)18-10-7(5)9(15)12-8(13-10)11(16)17-2/h4H,3H2,1-2H3,(H,12,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337007 (5-ethyl-2-(4-(trifluoromethyl)phenyl)-3H-pyrano[2,...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H11F3N2O3/c1-2-8-7-11(22)24-15-12(8)14(23)20-13(21-15)9-3-5-10(6-4-9)16(17,18)19/h3-7H,2H2,1H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337008 (5-ethyl-2-(prop-1-en-2-yl)-3H-pyrano[2,3-d]pyrimid...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(C)=C Show InChI InChI=1S/C12H12N2O3/c1-4-7-5-8(15)17-12-9(7)11(16)13-10(14-12)6(2)3/h5H,2,4H2,1,3H3,(H,13,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337009 (2-cyclopropyl-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C1CC1 Show InChI InChI=1S/C12H12N2O3/c1-2-6-5-8(15)17-12-9(6)11(16)13-10(14-12)7-3-4-7/h5,7H,2-4H2,1H3,(H,13,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337010 (5-ethyl-2-phenethyl-3H-pyrano[2,3-d]pyrimidine-4,7...) Show SMILES CCc1cc(=O)oc2nc(CCc3ccccc3)[nH]c(=O)c12 Show InChI InChI=1S/C17H16N2O3/c1-2-12-10-14(20)22-17-15(12)16(21)18-13(19-17)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337011 (2-butyl-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dio...) Show SMILES CCCCc1nc2oc(=O)cc(CC)c2c(=O)[nH]1 Show InChI InChI=1S/C13H16N2O3/c1-3-5-6-9-14-12(17)11-8(4-2)7-10(16)18-13(11)15-9/h7H,3-6H2,1-2H3,(H,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337012 (5-ethyl-2-isopropyl-3H-pyrano[2,3-d]pyrimidine-4,7...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(C)C Show InChI InChI=1S/C12H14N2O3/c1-4-7-5-8(15)17-12-9(7)11(16)13-10(14-12)6(2)3/h5-6H,4H2,1-3H3,(H,13,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337013 (5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione | CHE...) Show SMILES CCc1cc(=O)oc2nc[nH]c(=O)c12 Show InChI InChI=1S/C9H8N2O3/c1-2-5-3-6(12)14-9-7(5)8(13)10-4-11-9/h3-4H,2H2,1H3,(H,10,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337014 (2-(difluoromethyl)-5-methyl-3H-pyrano[2,3-d]pyrimi...) Show SMILES Cc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F Show InChI InChI=1S/C9H6F2N2O3/c1-3-2-4(14)16-9-5(3)8(15)12-7(13-9)6(10)11/h2,6H,1H3,(H,12,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.58E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337015 (5-ethyl-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidi...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(C)F Show InChI InChI=1S/C11H11FN2O3/c1-3-6-4-7(15)17-11-8(6)10(16)13-9(14-11)5(2)12/h4-5H,3H2,1-2H3,(H,13,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.07E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337016 (2-(difluoromethyl)-5-propyl-3H-pyrano[2,3-d]pyrimi...) Show SMILES CCCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F Show InChI InChI=1S/C11H10F2N2O3/c1-2-3-5-4-6(16)18-11-7(5)10(17)14-9(15-11)8(12)13/h4,8H,2-3H2,1H3,(H,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.44E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337017 (5-(2-cyclohexylethyl)-2-(difluoromethyl)-3H-pyrano...) Show SMILES FC(F)c1nc2oc(=O)cc(CCC3CCCCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C16H18F2N2O3/c17-13(18)14-19-15(22)12-10(8-11(21)23-16(12)20-14)7-6-9-4-2-1-3-5-9/h8-9,13H,1-7H2,(H,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337018 (5-ethyl-2-(methoxymethyl)-3H-pyrano[2,3-d]pyrimidi...) Show SMILES CCc1cc(=O)oc2nc(COC)[nH]c(=O)c12 Show InChI InChI=1S/C11H12N2O4/c1-3-6-4-8(14)17-11-9(6)10(15)12-7(13-11)5-16-2/h4H,3,5H2,1-2H3,(H,12,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337019 (2-(difluoromethyl)-5-(3-(1-phenylcyclopropyl)propy...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3(CC3)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C20H18F2N2O3/c21-16(22)17-23-18(26)15-12(11-14(25)27-19(15)24-17)5-4-8-20(9-10-20)13-6-2-1-3-7-13/h1-3,6-7,11,16H,4-5,8-10H2,(H,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337020 (5-ethyl-2-(phenoxymethyl)-3H-pyrano[2,3-d]pyrimidi...) Show SMILES CCc1cc(=O)oc2nc(COc3ccccc3)[nH]c(=O)c12 Show InChI InChI=1S/C16H14N2O4/c1-2-10-8-13(19)22-16-14(10)15(20)17-12(18-16)9-21-11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337021 (2-(chlorofluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyr...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)Cl Show InChI InChI=1S/C10H8ClFN2O3/c1-2-4-3-5(15)17-10-6(4)9(16)13-8(14-10)7(11)12/h3,7H,2H2,1H3,(H,13,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337022 (5-(2-cyclopentylethyl)-2-(difluoromethyl)-3H-pyran...) Show SMILES FC(F)c1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C15H16F2N2O3/c16-12(17)13-18-14(21)11-9(6-5-8-3-1-2-4-8)7-10(20)22-15(11)19-13/h7-8,12H,1-6H2,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337023 (5-ethyl-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimi...) Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O3/c1-2-4-3-5(16)18-8-6(4)7(17)14-9(15-8)10(11,12)13/h3H,2H2,1H3,(H,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337025 (5-ethyl-2-(hydroxymethyl)-3H-pyrano[2,3-d]pyrimidi...) Show SMILES CCc1cc(=O)oc2nc(CO)[nH]c(=O)c12 Show InChI InChI=1S/C10H10N2O4/c1-2-5-3-7(14)16-10-8(5)9(15)11-6(4-13)12-10/h3,13H,2,4H2,1H3,(H,11,12,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337026 (5-(3-bi(cycloprop)ylpropyl)-2-(difluoromethyl)-3H-...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3(CC3)C3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C17H18F2N2O3/c18-13(19)14-20-15(23)12-9(8-11(22)24-16(12)21-14)2-1-5-17(6-7-17)10-3-4-10/h8,10,13H,1-7H2,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337027 (5-(cyclobutylmethyl)-2-(difluoromethyl)-3H-pyrano[...) Show SMILES FC(F)c1nc2oc(=O)cc(CC3CCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H12F2N2O3/c14-10(15)11-16-12(19)9-7(4-6-2-1-3-6)5-8(18)20-13(9)17-11/h5-6,10H,1-4H2,(H,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	821	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337028 (2-(difluoromethyl)-5-(3-(1-isopropylcyclopropyl)pr...) Show SMILES CC(C)C1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1 Show InChI InChI=1S/C17H20F2N2O3/c1-9(2)17(6-7-17)5-3-4-10-8-11(22)24-16-12(10)15(23)20-14(21-16)13(18)19/h8-9,13H,3-7H2,1-2H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	787	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337029 (5-(4-cyclopropylbutyl)-2-(difluoromethyl)-3H-pyran...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCCC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C15H16F2N2O3/c16-12(17)13-18-14(21)11-9(4-2-1-3-8-5-6-8)7-10(20)22-15(11)19-13/h7-8,12H,1-6H2,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	591	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337030 (5-(3-cyclobutylpropyl)-2-(difluoromethyl)-3H-pyran...) Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C15H16F2N2O3/c16-12(17)13-18-14(21)11-9(6-2-5-8-3-1-4-8)7-10(20)22-15(11)19-13/h7-8,12H,1-6H2,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	479	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337031 (5-ethyl-2-mercapto-3H-pyrano[2,3-d]pyrimidine-4,7-...) Show SMILES CCc1cc(=O)oc2[nH]c(=S)[nH]c(=O)c12 Show InChI InChI=1S/C9H8N2O3S/c1-2-4-3-5(12)14-8-6(4)7(13)10-9(15)11-8/h3H,2H2,1H3,(H2,10,11,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337032 (5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyran...) Show SMILES FC(F)c1nc2oc(=O)cc(CCC3CC3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H12F2N2O3/c14-10(15)11-16-12(19)9-7(4-3-6-1-2-6)5-8(18)20-13(9)17-11/h5-6,10H,1-4H2,(H,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	451	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50337033 (2-(difluoromethyl)-5-(2-(3-methylcyclobutyl)ethyl)...) Show SMILES CC1CC(CCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)C1 |(25.59,-6.1,;25.59,-4.56,;24.5,-3.48,;25.59,-2.39,;25.58,-.85,;26.91,-.08,;26.91,1.46,;25.58,2.24,;25.58,3.78,;24.24,4.55,;26.91,4.55,;28.24,3.79,;29.57,4.56,;30.91,3.8,;30.91,2.25,;29.58,1.48,;29.58,-.06,;28.24,2.24,;32.23,4.58,;33.57,3.82,;32.22,6.12,;26.67,-3.47,)| Show InChI InChI=1S/C15H16F2N2O3/c1-7-4-8(5-7)2-3-9-6-10(20)22-15-11(9)14(21)18-13(19-15)12(16)17/h6-8,12H,2-5H2,1H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	379	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				ACS Med Chem Lett 2: 171-176 (2011) Article DOI: 10.1021/ml100251u BindingDB Entry DOI: 10.7270/Q2DZ08KX
					More data for this Ligand-Target Pair

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