Found 326 hits with Last Name = 'wolff' and Initial = 'ms' 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)) | BDBM50313984
(2-(2,2,3,3-tetrafluoro-3-(3-(5-hydroxypyridin-2-yl...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)C(F)(F)C(F)(F)c1nc(no1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C17H14F4N4O5/c18-16(19,14(29)23-10-4-2-1-3-9(10)13(27)28)17(20,21)15-24-12(25-30-15)11-6-5-8(26)7-22-11/h5-7,26H,1-4H2,(H,23,29)(H,27,28) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313977
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM23533
(2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cn1 Show InChI InChI=1S/C17H14N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h1-6,9,22H,7-8H2,(H,19,23)(H,24,25) | PDB
Reactome pathway
KEGG
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| PC cid
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313976
(2-({3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5...)Show SMILES CC(C)(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:21| Show InChI InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26) | PDB
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| PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313978
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES CC(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C18H20N4O5/c1-10(17(24)20-13-5-3-2-4-12(13)18(25)26)8-15-21-16(22-27-15)14-7-6-11(23)9-19-14/h6-7,9-10,23H,2-5,8H2,1H3,(H,20,24)(H,25,26) | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313978
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES CC(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C18H20N4O5/c1-10(17(24)20-13-5-3-2-4-12(13)18(25)26)8-15-21-16(22-27-15)14-7-6-11(23)9-19-14/h6-7,9-10,23H,2-5,8H2,1H3,(H,20,24)(H,25,26) | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313979
(2-(1-((3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)C1(Cc2nc(no2)-c2ccc(O)cn2)CC1 |t:3| Show InChI InChI=1S/C19H20N4O5/c24-11-5-6-14(20-10-11)16-22-15(28-23-16)9-19(7-8-19)18(27)21-13-4-2-1-3-12(13)17(25)26/h5-6,10,24H,1-4,7-9H2,(H,21,27)(H,25,26) | PDB
Reactome pathway
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313981
(CHEMBL1088213 | rac-2-(2-hydroxy-3-(3-(5-hydroxypy...)Show SMILES OC(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C17H18N4O6/c22-9-5-6-12(18-8-9)15-20-14(27-21-15)7-13(23)16(24)19-11-4-2-1-3-10(11)17(25)26/h5-6,8,13,22-23H,1-4,7H2,(H,19,24)(H,25,26) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313982
(CHEMBL1084393 | rac-2-(3-(3-(5-hydroxypyridin-2-yl...)Show SMILES CC(CC(=O)NC1=C(CCCC1)C(O)=O)c1nc(no1)-c1ccc(O)cn1 |t:6| Show InChI InChI=1S/C18H20N4O5/c1-10(8-15(24)20-13-5-3-2-4-12(13)18(25)26)17-21-16(22-27-17)14-7-6-11(23)9-19-14/h6-7,9-10,23H,2-5,8H2,1H3,(H,20,24)(H,25,26) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
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
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| DrugBank
PDB
Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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PDB
Article
PubMed
| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM23533
(2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cn1 Show InChI InChI=1S/C17H14N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h1-6,9,22H,7-8H2,(H,19,23)(H,24,25) | PDB
Reactome pathway
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| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313983
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES CC(C)(CC(=O)NC1=C(CCCC1)C(O)=O)c1nc(no1)-c1ccc(O)cn1 |t:7| Show InChI InChI=1S/C19H22N4O5/c1-19(2,9-15(25)21-13-6-4-3-5-12(13)17(26)27)18-22-16(23-28-18)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,25)(H,26,27) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313977
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25) | PDB
Reactome pathway
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PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313978
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES CC(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C18H20N4O5/c1-10(17(24)20-13-5-3-2-4-12(13)18(25)26)8-15-21-16(22-27-15)14-7-6-11(23)9-19-14/h6-7,9-10,23H,2-5,8H2,1H3,(H,20,24)(H,25,26) | PDB
Reactome pathway
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PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313978
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES CC(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C18H20N4O5/c1-10(17(24)20-13-5-3-2-4-12(13)18(25)26)8-15-21-16(22-27-15)14-7-6-11(23)9-19-14/h6-7,9-10,23H,2-5,8H2,1H3,(H,20,24)(H,25,26) | PDB
Reactome pathway
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PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313980
(2-(1-((3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)C1(Cc2nc(no2)-c2ccc(O)cn2)CCC1 |t:3| Show InChI InChI=1S/C20H22N4O5/c25-12-6-7-15(21-11-12)17-23-16(29-24-17)10-20(8-3-9-20)19(28)22-14-5-2-1-4-13(14)18(26)27/h6-7,11,25H,1-5,8-10H2,(H,22,28)(H,26,27) | PDB
Reactome pathway
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| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313976
(2-({3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5...)Show SMILES CC(C)(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:21| Show InChI InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26) | PDB
Reactome pathway
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| PDB
Article
PubMed
| 595 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313981
(CHEMBL1088213 | rac-2-(2-hydroxy-3-(3-(5-hydroxypy...)Show SMILES OC(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C17H18N4O6/c22-9-5-6-12(18-8-9)15-20-14(27-21-15)7-13(23)16(24)19-11-4-2-1-3-10(11)17(25)26/h5-6,8,13,22-23H,1-4,7H2,(H,19,24)(H,25,26) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313984
(2-(2,2,3,3-tetrafluoro-3-(3-(5-hydroxypyridin-2-yl...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)C(F)(F)C(F)(F)c1nc(no1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C17H14F4N4O5/c18-16(19,14(29)23-10-4-2-1-3-9(10)13(27)28)17(20,21)15-24-12(25-30-15)11-6-5-8(26)7-22-11/h5-7,26H,1-4H2,(H,23,29)(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313980
(2-(1-((3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)C1(Cc2nc(no2)-c2ccc(O)cn2)CCC1 |t:3| Show InChI InChI=1S/C20H22N4O5/c25-12-6-7-15(21-11-12)17-23-16(29-24-17)10-20(8-3-9-20)19(28)22-14-5-2-1-4-13(14)18(26)27/h6-7,11,25H,1-5,8-10H2,(H,22,28)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313982
(CHEMBL1084393 | rac-2-(3-(3-(5-hydroxypyridin-2-yl...)Show SMILES CC(CC(=O)NC1=C(CCCC1)C(O)=O)c1nc(no1)-c1ccc(O)cn1 |t:6| Show InChI InChI=1S/C18H20N4O5/c1-10(8-15(24)20-13-5-3-2-4-12(13)18(25)26)17-21-16(22-27-17)14-7-6-11(23)9-19-14/h6-7,9-10,23H,2-5,8H2,1H3,(H,20,24)(H,25,26) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Patents
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| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313979
(2-(1-((3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)C1(Cc2nc(no2)-c2ccc(O)cn2)CC1 |t:3| Show InChI InChI=1S/C19H20N4O5/c24-11-5-6-14(20-10-11)16-22-15(28-23-16)9-19(7-8-19)18(27)21-13-4-2-1-3-12(13)17(25)26/h5-6,10,24H,1-4,7-9H2,(H,21,27)(H,25,26) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50313983
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)Show SMILES CC(C)(CC(=O)NC1=C(CCCC1)C(O)=O)c1nc(no1)-c1ccc(O)cn1 |t:7| Show InChI InChI=1S/C19H22N4O5/c1-19(2,9-15(25)21-13-6-4-3-5-12(13)17(26)27)18-22-16(23-28-18)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,25)(H,26,27) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin |
J Med Chem 53: 2666-70 (2010)
Article DOI: 10.1021/jm100022r
BindingDB Entry DOI: 10.7270/Q2NS0V2P |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263229
(3-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4...)Show SMILES OC(=O)c1cc(cc2ccccc12)N1CCN(CC1)C(=O)c1cn(c(n1)-c1ccc(F)cc1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H27FN4O5/c34-23-7-5-21(6-8-23)31-35-28(20-38(31)24-9-10-29-30(19-24)43-16-15-42-29)32(39)37-13-11-36(12-14-37)25-17-22-3-1-2-4-26(22)27(18-25)33(40)41/h1-10,17-20H,11-16H2,(H,40,41) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263230
(3-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(2...)Show SMILES Cc1ccc(-c2nc(cn2-c2ccc3OCCOc3c2)C(=O)N2CCN(CC2)c2cc(C(O)=O)c3ccccc3c2)c(F)c1 Show InChI InChI=1S/C34H29FN4O5/c1-21-6-8-26(28(35)16-21)32-36-29(20-39(32)23-7-9-30-31(19-23)44-15-14-43-30)33(40)38-12-10-37(11-13-38)24-17-22-4-2-3-5-25(22)27(18-24)34(41)42/h2-9,16-20H,10-15H2,1H3,(H,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50245187
(3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylpheny...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H31FN4O4/c1-3-43-26-9-6-8-24(19-26)39-21-31(36-32(39)28-12-11-22(2)17-30(28)35)33(40)38-15-13-37(14-16-38)25-18-23-7-4-5-10-27(23)29(20-25)34(41)42/h4-12,17-21H,3,13-16H2,1-2H3,(H,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263227
(3-(4-(2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)-1H...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C33H28F2N4O4/c1-2-43-25-8-5-7-23(18-25)39-20-30(36-31(39)27-11-10-22(34)17-29(27)35)32(40)38-14-12-37(13-15-38)24-16-21-6-3-4-9-26(21)28(19-24)33(41)42/h3-11,16-20H,2,12-15H2,1H3,(H,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263226
(3-(4-(1-(3-ethoxyphenyl)-2-(4-fluorophenyl)-1H-imi...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C33H29FN4O4/c1-2-42-27-8-5-7-25(19-27)38-21-30(35-31(38)22-10-12-24(34)13-11-22)32(39)37-16-14-36(15-17-37)26-18-23-6-3-4-9-28(23)29(20-26)33(40)41/h3-13,18-21H,2,14-17H2,1H3,(H,40,41) | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263225
((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-fluo...)Show SMILES Fc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C31H26FN5O3/c32-23-7-5-21(6-8-23)30-34-27(20-37(30)24-9-10-28-29(18-24)40-16-15-39-28)31(38)36-13-11-35(12-14-36)25-17-22-3-1-2-4-26(22)33-19-25/h1-10,17-20H,11-16H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50245180
(3-(4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H32N4O4/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50262862
(3-(4-(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazole-4...)Show SMILES COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C33H30N4O4/c1-22-10-12-23(13-11-22)31-34-30(21-37(31)25-7-5-8-27(19-25)41-2)32(38)36-16-14-35(15-17-36)26-18-24-6-3-4-9-28(24)29(20-26)33(39)40/h3-13,18-21H,14-17H2,1-2H3,(H,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263228
(3-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-...)Show SMILES Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H30N4O5/c1-22-6-8-23(9-7-22)32-35-29(21-38(32)25-10-11-30-31(20-25)43-17-16-42-30)33(39)37-14-12-36(13-15-37)26-18-24-4-2-3-5-27(24)28(19-26)34(40)41/h2-11,18-21H,12-17H2,1H3,(H,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263186
((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl...)Show SMILES Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C32H29N5O3/c1-22-6-8-23(9-7-22)31-34-28(21-37(31)25-10-11-29-30(19-25)40-17-16-39-29)32(38)36-14-12-35(13-15-36)26-18-24-4-2-3-5-27(24)33-20-26/h2-11,18-21H,12-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263185
((1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C32H30FN5O2/c1-3-40-26-9-6-8-24(19-26)38-21-30(35-31(38)27-12-11-22(2)17-28(27)33)32(39)37-15-13-36(14-16-37)25-18-23-7-4-5-10-29(23)34-20-25/h4-12,17-21H,3,13-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50262973
((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl...)Show SMILES Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H30N4O3/c1-23-6-8-25(9-7-23)32-34-29(22-37(32)28-12-13-30-31(21-28)40-19-18-39-30)33(38)36-16-14-35(15-17-36)27-11-10-24-4-2-3-5-26(24)20-27/h2-13,20-22H,14-19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50245193
((1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)(4-...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C32H31N5O2/c1-3-39-28-9-6-8-26(20-28)37-22-30(34-31(37)24-13-11-23(2)12-14-24)32(38)36-17-15-35(16-18-36)27-19-25-7-4-5-10-29(25)33-21-27/h4-14,19-22H,3,15-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263139
((1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H31FN4O2/c1-3-40-28-10-6-9-27(21-28)38-22-31(35-32(38)29-14-11-23(2)19-30(29)34)33(39)37-17-15-36(16-18-37)26-13-12-24-7-4-5-8-25(24)20-26/h4-14,19-22H,3,15-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263184
((1-(3-ethoxyphenyl)-2-(2-fluorophenyl)-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C31H28FN5O2/c1-2-39-25-10-7-9-23(19-25)37-21-29(34-30(37)26-11-4-5-12-27(26)32)31(38)36-16-14-35(15-17-36)24-18-22-8-3-6-13-28(22)33-20-24/h3-13,18-21H,2,14-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263140
((1-(3-ethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C31H28FN5O2/c1-2-39-27-8-5-7-25(19-27)37-21-29(34-30(37)22-10-12-24(32)13-11-22)31(38)36-16-14-35(15-17-36)26-18-23-6-3-4-9-28(23)33-20-26/h3-13,18-21H,2,14-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50277717
(2-(3-(6-chloro-7-hydroxynaphtho[2,1-d]isoxazol-3-y...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1noc2c1ccc1c(Cl)c(O)ccc21 |t:3| Show InChI InChI=1S/C21H19ClN2O5/c22-19-11-5-6-13-16(24-29-20(13)12(11)7-9-17(19)25)8-10-18(26)23-15-4-2-1-3-14(15)21(27)28/h5-7,9,25H,1-4,8,10H2,(H,23,26)(H,27,28) | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells |
J Med Chem 52: 2587-602 (2009)
Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM23525
(2-{3-[2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-5-y...)Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-11(23)5-7-13(15)18-21-10-12(27-18)6-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-5,7,9-10,23H,6,8H2,(H,22,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | 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 |
Bioorg Med Chem Lett 21: 2721-4 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM23525
(2-{3-[2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-5-y...)Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-11(23)5-7-13(15)18-21-10-12(27-18)6-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-5,7,9-10,23H,6,8H2,(H,22,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | 6 | n/a | n/a | 7.4 | 23 |
Merck Research Laboratories
| Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ... |
J Med Chem 50: 6303-6 (2007)
Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263104
((2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)-1H-imid...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H28F2N4O2/c1-2-40-27-9-5-8-26(20-27)38-21-30(35-31(38)28-13-11-24(33)19-29(28)34)32(39)37-16-14-36(15-17-37)25-12-10-22-6-3-4-7-23(22)18-25/h3-13,18-21H,2,14-17H2,1H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50342524
((S)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)Show SMILES N[C@@H](Cc1nc(no1)-c1ccc(O)cn1)C(=O)Nc1ccccc1C(O)=O |r| Show InChI InChI=1S/C17H15N5O5/c18-11(16(24)20-12-4-2-1-3-10(12)17(25)26)7-14-21-15(22-27-14)13-6-5-9(23)8-19-13/h1-6,8,11,23H,7,18H2,(H,20,24)(H,25,26)/t11-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | 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 |
Bioorg Med Chem Lett 21: 2721-4 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C |
More data for this
Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50277718
(2-(3-(7-hydroxypyrazolo[1,5-a]quinolin-3-yl)propan...)Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cnn2c1ccc1cc(O)ccc21 |t:3| Show InChI InChI=1S/C21H21N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h5,7-9,11-12,25H,1-4,6,10H2,(H,23,26)(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells |
J Med Chem 52: 2587-602 (2009)
Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50262861
(3-(4-(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazole-4...)Show SMILES COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cc1C(O)=O Show InChI InChI=1S/C33H30N4O4/c1-22-10-12-23(13-11-22)31-34-29(21-37(31)26-8-5-9-27(20-26)41-2)32(38)36-16-14-35(15-17-36)30-19-25-7-4-3-6-24(25)18-28(30)33(39)40/h3-13,18-21H,14-17H2,1-2H3,(H,39,40) | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50262817
((1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)(4...)Show SMILES COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C31H29N5O2/c1-22-10-12-23(13-11-22)30-33-29(21-36(30)25-7-5-8-27(19-25)38-2)31(37)35-16-14-34(15-17-35)26-18-24-6-3-4-9-28(24)32-20-26/h3-13,18-21H,14-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50262816
((4-(isoquinolin-3-yl)piperazin-1-yl)(1-(3-methoxyp...)Show SMILES COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cn1 Show InChI InChI=1S/C31H29N5O2/c1-22-10-12-23(13-11-22)30-33-28(21-36(30)26-8-5-9-27(19-26)38-2)31(37)35-16-14-34(15-17-35)29-18-24-6-3-4-7-25(24)20-32-29/h3-13,18-21H,14-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263102
((1-(3-ethoxyphenyl)-2-(2-fluorophenyl)-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H29FN4O2/c1-2-39-27-11-7-10-26(21-27)37-22-30(34-31(37)28-12-5-6-13-29(28)33)32(38)36-18-16-35(17-19-36)25-15-14-23-8-3-4-9-24(23)20-25/h3-15,20-22H,2,16-19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
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