Found 2502 hits with Last Name = 'jones' and Initial = 'j' 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 |
|---|
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218198
(CHEMBL55914)Show SMILES Cc1cc(NC(=O)N2CCc3cc(C)c(cc23)C(F)(F)F)cnc1OCc1ccccn1 Show InChI InChI=1S/C23H21F3N4O2/c1-14-9-16-6-8-30(20(16)11-19(14)23(24,25)26)22(31)29-18-10-15(2)21(28-12-18)32-13-17-5-3-4-7-27-17/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,31) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement. |
Bioorg Med Chem Lett 10: 1867-70 (2000)
BindingDB Entry DOI: 10.7270/Q2SF2ZB2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217990
(CHEMBL54560)Show SMILES CSc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C22H19F3N4O2S/c1-13-18(4-3-8-26-13)31-20-6-5-15(12-27-20)28-21(30)29-9-7-14-10-19(32-2)16(11-17(14)29)22(23,24)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30) | PDB
Reactome pathway
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UniChem
Similars
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| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408704
(CHEMBL282229)Show SMILES COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C Show InChI InChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218192
(CHEMBL54707)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4cnccn4)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-13-8-14-4-7-29(18(14)9-17(13)21(22,23)24)20(30)28-15-2-3-19(27-11-15)31-12-16-10-25-5-6-26-16/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,28,30) | PDB
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| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement. |
Bioorg Med Chem Lett 10: 1867-70 (2000)
BindingDB Entry DOI: 10.7270/Q2SF2ZB2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217974
(CHEMBL55207)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cnccc4Cl)nc3)c2cc1Cl Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-8-13-5-7-26(17(13)9-16(12)22)20(27)25-14-2-3-19(24-10-14)28-18-11-23-6-4-15(18)21/h2-4,6,8-11H,5,7H2,1H3,(H,25,27) | PDB
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PC sid
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| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50410477
(CHEMBL54719)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C22H19F3N4O2/c1-14-10-15-7-9-29(19(15)11-18(14)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-13-17-4-2-3-8-26-17/h2-6,8,10-12H,7,9,13H2,1H3,(H,28,30) | PDB
Reactome pathway
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| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement. |
Bioorg Med Chem Lett 10: 1867-70 (2000)
BindingDB Entry DOI: 10.7270/Q2SF2ZB2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217991
(CHEMBL301012)Show SMILES Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(Cl)c3)c2cc1Cl Show InChI InChI=1S/C21H18Cl2N4O2/c1-12-8-14-5-7-27(18(14)10-16(12)22)21(28)26-15-9-17(23)20(25-11-15)29-19-4-3-6-24-13(19)2/h3-4,6,8-11H,5,7H2,1-2H3,(H,26,28) | PDB
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086071
(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)Show SMILES COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C22H19F3N4O3/c1-13-18(4-3-8-26-13)32-20-6-5-15(12-27-20)28-21(30)29-9-7-14-10-19(31-2)16(11-17(14)29)22(23,24)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30) | PDB
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217980
(CHEMBL59584)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Br Show InChI InChI=1S/C21H19BrN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27) | PDB
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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| DrugBank
PDB
Article
PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using phthalazine as substrate assessed as enzyme-substrate complex by Lineweaver-... |
Drug Metab Dispos 41: 24-9 (2012)
Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
Br J Pharmacol 125: 202-8 (1998)
Article DOI: 10.1038/sj.bjp.0702059
BindingDB Entry DOI: 10.7270/Q2PC30XV |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM85097
(CAS_181632-25-7 | CHEMBL14563 | SB 242084)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl Show InChI InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM85166
(CAS_3292447 | NSC_3292447 | SB 216641)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C Show InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217972
(CHEMBL55079)Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 Show InChI InChI=1S/C21H18Cl2N4O2/c1-12-16(22)10-17-15(20(12)23)7-9-27(17)21(28)26-14-5-6-19(25-11-14)29-18-4-3-8-24-13(18)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,26,28) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086065
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217977
(CHEMBL55331)Show SMILES Cc1ccncc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1 Show InChI InChI=1S/C21H19ClN4O2/c1-13-5-7-23-12-19(13)28-20-4-3-16(11-24-20)25-21(27)26-8-6-15-9-14(2)17(22)10-18(15)26/h3-5,7,9-12H,6,8H2,1-2H3,(H,25,27) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM85166
(CAS_3292447 | NSC_3292447 | SB 216641)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C Show InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 312-20 (1997)
Article DOI: 10.1007/pl00005056
BindingDB Entry DOI: 10.7270/Q2KW5DKB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 312-20 (1997)
Article DOI: 10.1007/pl00005056
BindingDB Entry DOI: 10.7270/Q2KW5DKB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 312-20 (1997)
Article DOI: 10.1007/pl00005056
BindingDB Entry DOI: 10.7270/Q2KW5DKB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217970
(CHEMBL292228)Show SMILES Cc1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(Oc2cccnc2C)nc1 Show InChI InChI=1S/C21H19ClN4O2/c1-13-10-18-15(11-17(13)22)7-9-26(18)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27) | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217986
(CHEMBL294030)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4Cl)nc3)c2cc1Cl Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-9-13-6-8-26(16(13)10-15(12)21)20(27)25-14-4-5-18(24-11-14)28-17-3-2-7-23-19(17)22/h2-5,7,9-11H,6,8H2,1H3,(H,25,27) | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217993
(CHEMBL55292)Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c4CCOc4c(cc23)C(F)(F)F)cn1 Show InChI InChI=1S/C23H19F3N4O3/c1-13-19(3-2-8-27-13)33-20-5-4-14(12-28-20)29-22(31)30-9-6-15-16-7-10-32-21(16)17(11-18(15)30)23(24,25)26/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,29,31) | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217978
(CHEMBL53152)Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(cc23)C(F)(F)F)cn1 Show InChI InChI=1S/C21H16BrF3N4O2/c1-12-18(3-2-7-26-12)31-19-5-4-14(11-27-19)28-20(30)29-8-6-13-9-16(22)15(10-17(13)29)21(23,24)25/h2-5,7,9-11H,6,8H2,1H3,(H,28,30) | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218114
(CHEMBL291949)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccncc4)nc3)c2cc1Cl Show InChI InChI=1S/C21H19ClN4O2/c1-14-10-16-6-9-26(19(16)11-18(14)22)21(27)25-17-2-3-20(24-12-17)28-13-15-4-7-23-8-5-15/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,25,27) | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement. |
Bioorg Med Chem Lett 10: 1867-70 (2000)
BindingDB Entry DOI: 10.7270/Q2SF2ZB2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408701
(CHEMBL21724)Show SMILES CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12 Show InChI InChI=1S/C29H30N4O4/c1-18-15-23(28-30-19(2)37-32-28)9-10-25(18)20-5-7-21(8-6-20)29(34)31-24-16-22-11-13-36-27(22)26(17-24)35-14-12-33(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,31,34) | PDB
Reactome pathway
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| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217982
(CHEMBL56336)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1F Show InChI InChI=1S/C21H19FN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27) | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217989
(CHEMBL56508)Show SMILES Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(Cl)c3)c2cc1C(F)(F)F Show InChI InChI=1S/C22H18ClF3N4O2/c1-12-8-14-5-7-30(18(14)10-16(12)22(24,25)26)21(31)29-15-9-17(23)20(28-11-15)32-19-4-3-6-27-13(19)2/h3-4,6,8-11H,5,7H2,1-2H3,(H,29,31) | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217981
(CHEMBL55964)Show SMILES Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(C)c3)c2cc1Cl Show InChI InChI=1S/C22H21ClN4O2/c1-13-9-16-6-8-27(19(16)11-18(13)23)22(28)26-17-10-14(2)21(25-12-17)29-20-5-4-7-24-15(20)3/h4-5,7,9-12H,6,8H2,1-3H3,(H,26,28) | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217966
(CHEMBL54775)Show SMILES Cc1ccc2N(CCc2c1Br)C(=O)Nc1ccc(Oc2cccnc2C)nc1 Show InChI InChI=1S/C21H19BrN4O2/c1-13-5-7-17-16(20(13)22)9-11-26(17)21(27)25-15-6-8-19(24-12-15)28-18-4-3-10-23-14(18)2/h3-8,10,12H,9,11H2,1-2H3,(H,25,27) | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217968
(CHEMBL55472)Show SMILES CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1 Show InChI InChI=1S/C23H23ClN4O2/c1-3-5-19-21(6-4-10-25-19)30-22-8-7-17(14-26-22)27-23(29)28-11-9-16-12-15(2)18(24)13-20(16)28/h4,6-8,10,12-14H,3,5,9,11H2,1-2H3,(H,27,29) | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50114673
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
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PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217975
(CHEMBL299938)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cncnc4C)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-12-7-14-5-6-29(17(14)8-16(12)21(22,23)24)20(30)28-15-3-4-19(26-9-15)31-18-10-25-11-27-13(18)2/h3-4,7-11H,5-6H2,1-2H3,(H,28,30) | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217985
(CHEMBL52308)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1Cl Show InChI InChI=1S/C20H18ClN5O2/c1-12-10-14-7-9-26(16(14)11-15(12)21)20(27)23-18-5-6-19(25-24-18)28-17-4-3-8-22-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,23,24,27) | PDB
Reactome pathway
KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50321890
(5,6-Dichloro-2,3-dihydro-indole-1-carboxylic acid ...)Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc23)cn1 Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-18(3-2-7-23-12)28-19-5-4-14(11-24-19)25-20(27)26-8-6-13-9-15(21)16(22)10-17(13)26/h2-5,7,9-11H,6,8H2,1H3,(H,25,27) | PDB
Reactome pathway
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PC sid
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217984
(CHEMBL53308)Show SMILES Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)cn3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-12-8-14-5-7-29(16(14)9-15(12)21(22,23)24)20(30)28-18-10-27-19(11-26-18)31-17-4-3-6-25-13(17)2/h3-4,6,8-11H,5,7H2,1-2H3,(H,26,28,30) | PDB
Reactome pathway
KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217988
(CHEMBL55792)Show SMILES CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1 Show InChI InChI=1S/C22H21ClN4O2/c1-3-18-20(5-4-9-24-18)29-21-7-6-16(13-25-21)26-22(28)27-10-8-15-11-14(2)17(23)12-19(15)27/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,26,28) | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
Alcohol dehydrogenase 1A
(Homo sapiens (Human)) | BDBM50368954
(CHEMBL610377)Show SMILES NC(=O)c1cncc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H27N7O14P2/c22-18-12-20(26-6-25-18)28(7-27-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-1-9(19(23)33)3-24-2-8/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,25,26)/t10-,11-,13-,14-,15-,16-,17+,21?/m1/s1 | PDB
MMDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester Medical Center
Curated by ChEMBL
| Assay Description
Apparent inhibition constant against mammalian liver alcohol dehydrogenase (ADH) |
J Med Chem 37: 392-9 (1994)
BindingDB Entry DOI: 10.7270/Q2RN38H5 |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis |
Drug Metab Dispos 41: 24-9 (2012)
Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218195
(CHEMBL55335)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O2/c1-15-12-16-9-11-29(21(16)13-20(15)23(24,25)26)22(30)28-17-5-7-19(8-6-17)31-14-18-4-2-3-10-27-18/h2-8,10,12-13H,9,11,14H2,1H3,(H,28,30) | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement. |
Bioorg Med Chem Lett 10: 1867-70 (2000)
BindingDB Entry DOI: 10.7270/Q2SF2ZB2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50218113
(CHEMBL293937)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(OCc4ccccn4)nc3)c2cc1Cl Show InChI InChI=1S/C21H19ClN4O2/c1-14-10-15-7-9-26(19(15)11-18(14)22)21(27)25-16-5-6-20(24-12-16)28-13-17-4-2-3-8-23-17/h2-6,8,10-12H,7,9,13H2,1H3,(H,25,27) | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement. |
Bioorg Med Chem Lett 10: 1867-70 (2000)
BindingDB Entry DOI: 10.7270/Q2SF2ZB2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217973
(CHEMBL52919)Show SMILES CCc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H21F3N4O2/c1-3-15-11-16-8-10-30(19(16)12-18(15)23(24,25)26)22(31)29-17-6-7-21(28-13-17)32-20-5-4-9-27-14(20)2/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,29,31) | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
Br J Pharmacol 125: 202-8 (1998)
Article DOI: 10.1038/sj.bjp.0702059
BindingDB Entry DOI: 10.7270/Q2PC30XV |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 312-20 (1997)
Article DOI: 10.1007/pl00005056
BindingDB Entry DOI: 10.7270/Q2KW5DKB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408700
(CHEMBL282693)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C Show InChI InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408705
(CHEMBL20791)Show SMILES CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27-26(18-24)34(15-16-36-27)14-13-33(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408702
(CHEMBL21790)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C Show InChI InChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34) | PDB
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50321861
(5-Iodo-2,3-dihydro-indole-1-carboxylic acid [6-(2-...)Show InChI InChI=1S/C20H17IN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50217994
(CHEMBL58765)Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-12-10-14-7-9-29(16(14)11-15(12)21(22,23)24)20(30)26-18-5-6-19(28-27-18)31-17-4-3-8-25-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,26,27,30) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine |
Bioorg Med Chem Lett 10: 1863-6 (2000)
BindingDB Entry DOI: 10.7270/Q2X63Q4P |
More data for this
Ligand-Target Pair | |
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