Found 197 hits with Last Name = 'kedves' and Initial = 'r' 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
(Rattus norvegicus (Rat)) | 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
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem Lett 26: 914-20 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615419
(CHEMBL5285270)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC[C@@H]4C)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605870
(CHEMBL5196475) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615418
(CHEMBL5270265)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4C)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615421
(CHEMBL5288889)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCCCC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50140071
(CHEMBL3752465)Show SMILES CN(C)CCC(Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cc1)c1ccccc1 Show InChI InChI=1S/C27H30ClN3O2/c1-19-17-21-13-16-31(25(21)18-24(19)28)27(32)29-22-9-11-23(12-10-22)33-26(14-15-30(2)3)20-7-5-4-6-8-20/h4-12,17-18,26H,13-16H2,1-3H3,(H,29,32) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem Lett 26: 914-20 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50525810
(CHEMBL4451680)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C29H44N2O/c1-29-14-13-25-24-10-8-23(32-20-6-17-30-15-2-3-16-30)21-22(24)7-9-26(25)27(29)11-12-28(29)31-18-4-5-19-31/h8,10,21,25-28H,2-7,9,11-20H2,1H3/t25-,26-,27+,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615420
(CHEMBL5274183)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCNC(=O)C4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615412
(CHEMBL5273254)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCCN4CCCC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615409
(CHEMBL5285176)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(CC)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615423
(CHEMBL5281542)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCc4ccncc4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615410
(CHEMBL5279080)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3C[C@@H](C)[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615413
(CHEMBL5267299)Show SMILES [H][C@@]12CCC(N3CCCC3)[C@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615425
(CHEMBL5271387)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCc4ccc(Cl)cn4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50140065
(CHEMBL3753894)Show InChI InChI=1S/C17H21IN2O2S/c1-19(2)12-13-20(14-15-6-4-3-5-7-15)23(21,22)17-10-8-16(18)9-11-17/h3-11H,12-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A (unknown origin) |
Bioorg Med Chem Lett 26: 914-20 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605882
(CHEMBL5202280)Show SMILES CC(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615411
(CHEMBL5283960)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCN4CCCC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615421
(CHEMBL5288889)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCCCC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615408
(CHEMBL5278683)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCc4ccccn4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50525810
(CHEMBL4451680)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C29H44N2O/c1-29-14-13-25-24-10-8-23(32-20-6-17-30-15-2-3-16-30)21-22(24)7-9-26(25)27(29)11-12-28(29)31-18-4-5-19-31/h8,10,21,25-28H,2-7,9,11-20H2,1H3/t25-,26-,27+,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605891
(CHEMBL5174560)Show SMILES CN(C)C(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615417
(CHEMBL5281783)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC(CC4)C(C)=O)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605874
(CHEMBL5207799)Show SMILES CN1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1=O | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50140065
(CHEMBL3753894)Show InChI InChI=1S/C17H21IN2O2S/c1-19(2)12-13-20(14-15-6-4-3-5-7-15)23(21,22)17-10-8-16(18)9-11-17/h3-11H,12-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A in Wistar rat frontal cortex membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem Lett 26: 914-20 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615424
(CHEMBL5277417)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCc4cccnc4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50247053
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50013050
(CHEMBL3261693)Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1)c1ccccc1 Show InChI InChI=1S/C25H28ClN3O2/c1-18-9-10-21(17-23(18)26)28-25(30)27-20-11-13-22(14-12-20)31-24(15-16-29(2)3)19-7-5-4-6-8-19/h4-14,17,24H,15-16H2,1-3H3,(H2,27,28,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem Lett 26: 914-20 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615414
(CHEMBL5277860)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC(CC4)C(N)=O)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605904
(CHEMBL5179688)Show SMILES CC(=O)N1Cc2ccc(OCc3c(C)nnn3-c3ccc(F)cc3)nc2C1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615420
(CHEMBL5274183)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCNC(=O)C4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605888
(CHEMBL5179759)Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCS(=O)(=O)CC1)-c1ccc(F)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615418
(CHEMBL5270265)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4C)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605868
(CHEMBL5186978)Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605869
(CHEMBL5185502) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615422
(CHEMBL5288750)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCCCN1CCCC1 |r,t:22| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM133427
(US8846719, 112)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3 | PDB
KEGG
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antibodypedia
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PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50140069
(CHEMBL3753329)Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 Show InChI InChI=1S/C25H29ClN4O3S/c1-19-9-10-22(17-24(19)26)28-25(31)27-21-11-13-23(14-12-21)34(32,33)30(16-15-29(2)3)18-20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem Lett 26: 914-20 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605894
(CHEMBL5176630)Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCOCC1)-c1ccc(F)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605890
(CHEMBL5200451)Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)c1ccno1)-c1ccc(F)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615415
(CHEMBL5280351)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC(O)CC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615416
(CHEMBL5286329)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC(O)C4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615419
(CHEMBL5285270)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC[C@@H]4C)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615413
(CHEMBL5267299)Show SMILES [H][C@@]12CCC(N3CCCC3)[C@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50140066
(CHEMBL3754784)Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(c1)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C27H33ClN4O2S/c1-29(2)14-19-32(22-23-8-4-3-5-9-23)35(33,34)27-13-7-12-26(21-27)31-17-15-30(16-18-31)25-11-6-10-24(28)20-25/h3-13,20-21H,14-19,22H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem Lett 26: 914-20 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605885
(CHEMBL5181374)Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCOC1)-c1ccc(F)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50615414
(CHEMBL5277860)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC(CC4)C(N)=O)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605892
(CHEMBL5178153)Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCCC1)-c1ccc(F)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615423
(CHEMBL5281542)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCc4ccncc4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615417
(CHEMBL5281783)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC(CC4)C(C)=O)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50615408
(CHEMBL5278683)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCc4ccccn4)cc3CC[C@@]21[H] |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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