Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50027004 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 |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM23515
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) | PDB
Reactome pathway 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264264
((R)-3-(4-isopropylphenyl)-7-methyl-N-(1-phenoxypro...)Show SMILES C[C@H](COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264672
(3-(4-isopropylphenyl)-7-methyl-N-(2-phenoxyethyl)p...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C25H26N4O2/c1-17(2)19-9-11-20(12-10-19)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-13-14-31-21-7-5-4-6-8-21/h4-12,15-17H,13-14H2,1-3H3,(H,26,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264263
(CHEMBL492020 | rac-3-(4-isopropylphenyl)-7-methyl-...)Show SMILES CC(COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264265
((S)-3-(4-isopropylphenyl)-7-methyl-N-(1-phenoxypro...)Show SMILES C[C@@H](COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264671
(CHEMBL490215 | rac-3-(4-isopropylphenyl)-N-(1-meth...)Show SMILES COCC(C)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C21H26N4O2/c1-13(2)16-6-8-17(9-7-16)19-11-23-25-15(4)18(10-22-20(19)25)21(26)24-14(3)12-27-5/h6-11,13-14H,12H2,1-5H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM23515
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) | PDB
Reactome pathway 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+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264293
(CHEMBL489787 | rac-3-(4-isopropylphenyl)-N-(2-meth...)Show SMILES COCC(NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C)c1ccccc1 Show InChI InChI=1S/C26H28N4O2/c1-17(2)19-10-12-20(13-11-19)23-15-28-30-18(3)22(14-27-25(23)30)26(31)29-24(16-32-4)21-8-6-5-7-9-21/h5-15,17,24H,16H2,1-4H3,(H,29,31) | 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 | 1.90E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264265
((S)-3-(4-isopropylphenyl)-7-methyl-N-(1-phenoxypro...)Show SMILES C[C@@H](COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m0/s1 | 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 | 3.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264264
((R)-3-(4-isopropylphenyl)-7-methyl-N-(1-phenoxypro...)Show SMILES C[C@H](COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264263
(CHEMBL492020 | rac-3-(4-isopropylphenyl)-7-methyl-...)Show SMILES CC(COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264262
(3-(4-isopropylphenyl)-7-methyl-N-(2-(p-tolyloxy)et...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccc(C)cc1 Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-7-9-21(10-8-20)24-16-29-30-19(4)23(15-28-25(24)30)26(31)27-13-14-32-22-11-5-18(3)6-12-22/h5-12,15-17H,13-14H2,1-4H3,(H,27,31) | 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 | 2.10E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264187
(3-(4-isopropylphenyl)-7-methyl-N-(2-(m-tolyloxy)et...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1cccc(C)c1 Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-8-10-21(11-9-20)24-16-29-30-19(4)23(15-28-25(24)30)26(31)27-12-13-32-22-7-5-6-18(3)14-22/h5-11,14-17H,12-13H2,1-4H3,(H,27,31) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264136
(CHEMBL490414 | N-(2-(4-chlorophenoxy)ethyl)-3-(4-i...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN4O2/c1-16(2)18-4-6-19(7-5-18)23-15-29-30-17(3)22(14-28-24(23)30)25(31)27-12-13-32-21-10-8-20(26)9-11-21/h4-11,14-16H,12-13H2,1-3H3,(H,27,31) | 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 | 2.30E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264135
(CHEMBL522281 | N-(2-(4-fluorophenoxy)ethyl)-3-(4-i...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccc(F)cc1 Show InChI InChI=1S/C25H25FN4O2/c1-16(2)18-4-6-19(7-5-18)23-15-29-30-17(3)22(14-28-24(23)30)25(31)27-12-13-32-21-10-8-20(26)9-11-21/h4-11,14-16H,12-13H2,1-3H3,(H,27,31) | 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 | 460 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264134
(CHEMBL490413 | N-(2-(2-fluorophenoxy)ethyl)-3-(4-i...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccccc1F Show InChI InChI=1S/C25H25FN4O2/c1-16(2)18-8-10-19(11-9-18)21-15-29-30-17(3)20(14-28-24(21)30)25(31)27-12-13-32-23-7-5-4-6-22(23)26/h4-11,14-16H,12-13H2,1-3H3,(H,27,31) | 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 | 1.80E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264133
(3-(4-isopropylphenyl)-N-(2-(3-methoxyphenoxy)ethyl...)Show SMILES COc1cccc(OCCNC(=O)c2cnc3c(cnn3c2C)-c2ccc(cc2)C(C)C)c1 Show InChI InChI=1S/C26H28N4O3/c1-17(2)19-8-10-20(11-9-19)24-16-29-30-18(3)23(15-28-25(24)30)26(31)27-12-13-33-22-7-5-6-21(14-22)32-4/h5-11,14-17H,12-13H2,1-4H3,(H,27,31) | 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 | 930 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264707
(3-(4-isopropylphenyl)-N-(2-(4-methoxyphenoxy)ethyl...)Show SMILES COc1ccc(OCCNC(=O)c2cnc3c(cnn3c2C)-c2ccc(cc2)C(C)C)cc1 Show InChI InChI=1S/C26H28N4O3/c1-17(2)19-5-7-20(8-6-19)24-16-29-30-18(3)23(15-28-25(24)30)26(31)27-13-14-33-22-11-9-21(32-4)10-12-22/h5-12,15-17H,13-14H2,1-4H3,(H,27,31) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264706
(3-(4-isopropylphenyl)-7-methyl-N-(2-(naphthalen-2-...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccc2ccccc2c1 Show InChI InChI=1S/C29H28N4O2/c1-19(2)21-8-10-23(11-9-21)27-18-32-33-20(3)26(17-31-28(27)33)29(34)30-14-15-35-25-13-12-22-6-4-5-7-24(22)16-25/h4-13,16-19H,14-15H2,1-3H3,(H,30,34) | 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 | 2.30E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264672
(3-(4-isopropylphenyl)-7-methyl-N-(2-phenoxyethyl)p...)Show SMILES CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C25H26N4O2/c1-17(2)19-9-11-20(12-10-19)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-13-14-31-21-7-5-4-6-8-21/h4-12,15-17H,13-14H2,1-3H3,(H,26,30) | 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 | 6.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264671
(CHEMBL490215 | rac-3-(4-isopropylphenyl)-N-(1-meth...)Show SMILES COCC(C)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C21H26N4O2/c1-13(2)16-6-8-17(9-7-16)19-11-23-25-15(4)18(10-22-20(19)25)21(26)24-14(3)12-27-5/h6-11,13-14H,12H2,1-5H3,(H,24,26) | 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 | 3.20E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50264294
(CHEMBL492027 | rac-3-(4-isopropylphenyl)-N-(1-meth...)Show SMILES COCC(Cc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C27H30N4O2/c1-18(2)21-10-12-22(13-11-21)25-16-29-31-19(3)24(15-28-26(25)31)27(32)30-23(17-33-4)14-20-8-6-5-7-9-20/h5-13,15-16,18,23H,14,17H2,1-4H3,(H,30,32) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 18: 4948-51 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.039 BindingDB Entry DOI: 10.7270/Q2DZ0843 |
More data for this Ligand-Target Pair | |