Found 139 hits with Last Name = 'scali' and Initial = 'c' 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 |
|---|
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50319673
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50300802
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from rat rat alpha7 nAChR expressed in rat GH4C1 cells |
Bioorg Med Chem 17: 5247-58 (2009)
Article DOI: 10.1016/j.bmc.2009.05.040
BindingDB Entry DOI: 10.7270/Q29K4B8H |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50399292
(CHEMBL2180842)Show InChI InChI=1S/C17H22FN5O/c18-14-9-13(11-19-12-14)15-10-16(22-21-15)20-17(24)5-4-8-23-6-2-1-3-7-23/h9-12H,1-8H2,(H2,20,21,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-epibatidine from rat alpha7 nAchR expressed in rat GH4C1 cell membranes |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50399293
(CHEMBL2086582)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1 Show InChI InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in GH4C1 cells after 1 hr by TopCount method |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50319673
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT4 receptor |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399295
(CHEMBL2180841)Show InChI InChI=1S/C18H23FN4O/c19-15-7-4-6-14(12-15)16-13-17(22-21-16)20-18(24)8-5-11-23-9-2-1-3-10-23/h4,6-7,12-13H,1-3,5,8-11H2,(H2,20,21,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50319673
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG expressed in CHO cells |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399294
(CHEMBL2180840)Show InChI InChI=1S/C19H26N4O2/c1-25-16-8-5-7-15(13-16)17-14-18(22-21-17)20-19(24)9-6-12-23-10-3-2-4-11-23/h5,7-8,13-14H,2-4,6,9-12H2,1H3,(H2,20,21,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420604
(CHEMBL2087443)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-3-6-14-24-12-4-2-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420606
(CHEMBL2087447)Show InChI InChI=1S/C19H25FN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399289
(CHEMBL2180835)Show InChI InChI=1S/C19H26N4O2/c1-25-16-9-7-15(8-10-16)17-14-18(22-21-17)20-19(24)6-5-13-23-11-3-2-4-12-23/h7-10,14H,2-6,11-13H2,1H3,(H2,20,21,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319676
(1-(2'-fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)bu...)Show InChI InChI=1S/C22H28FN3O/c23-21-9-3-2-8-20(21)18-10-12-19(13-11-18)25-22(27)24-14-4-7-17-26-15-5-1-6-16-26/h2-3,8-13H,1,4-7,14-17H2,(H2,24,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319677
(1-(4'-fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)bu...)Show InChI InChI=1S/C22H28FN3O/c23-20-10-6-18(7-11-20)19-8-12-21(13-9-19)25-22(27)24-14-2-5-17-26-15-3-1-4-16-26/h6-13H,1-5,14-17H2,(H2,24,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420607
(CHEMBL2087448)Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1 Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420605
(CHEMBL2087445)Show InChI InChI=1S/C20H28N4O2/c1-26-18-10-4-3-9-16(18)17-15-19(23-22-17)21-20(25)11-5-8-14-24-12-6-2-7-13-24/h3-4,9-10,15H,2,5-8,11-14H2,1H3,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50319673
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha2B receptor |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319675
(1-(2'-methoxybiphenyl-4-yl)-3-(4-(piperidin-1-yl)b...)Show InChI InChI=1S/C23H31N3O2/c1-28-22-10-4-3-9-21(22)19-11-13-20(14-12-19)25-23(27)24-15-5-8-18-26-16-6-2-7-17-26/h3-4,9-14H,2,5-8,15-18H2,1H3,(H2,24,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319674
(1-(biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea ...)Show InChI InChI=1S/C22H29N3O/c26-22(23-15-5-8-18-25-16-6-2-7-17-25)24-21-13-11-20(12-14-21)19-9-3-1-4-10-19/h1,3-4,9-14H,2,5-8,15-18H2,(H2,23,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50399290
(CHEMBL2180836)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-6-14-24-12-4-2-3-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at alpha3 nAchR in human SH-SY5Y cells assessed as stimulation of calcium flux by FLIPR |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420608
(CHEMBL2087453)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCOCC2)[nH]n1 Show InChI InChI=1S/C19H26N4O3/c1-25-16-7-5-15(6-8-16)17-14-18(22-21-17)20-19(24)4-2-3-9-23-10-12-26-13-11-23/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399292
(CHEMBL2180842)Show InChI InChI=1S/C17H22FN5O/c18-14-9-13(11-19-12-14)15-10-16(22-21-15)20-17(24)5-4-8-23-6-2-1-3-7-23/h9-12H,1-8H2,(H2,20,21,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399293
(CHEMBL2086582)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1 Show InChI InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IonWorks assay |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50319673
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at alpha4beta2 nAChR |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319678
(1-(4-(6-fluoropyridin-3-yl)phenyl)-3-(4-(piperidin...)Show InChI InChI=1S/C21H27FN4O/c22-20-11-8-18(16-24-20)17-6-9-19(10-7-17)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319679
(1-(4-Piperidin-1-ylbutyl)-3-(4-pyridin-2-ylphenyl)...)Show InChI InChI=1S/C21H28N4O/c26-21(23-14-4-7-17-25-15-5-1-6-16-25)24-19-11-9-18(10-12-19)20-8-2-3-13-22-20/h2-3,8-13H,1,4-7,14-17H2,(H2,23,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319680
(1-(6-phenylpyridin-3-yl)-3-(4-(piperidin-1-yl)buty...)Show InChI InChI=1S/C21H28N4O/c26-21(22-13-5-8-16-25-14-6-2-7-15-25)24-19-11-12-20(23-17-19)18-9-3-1-4-10-18/h1,3-4,9-12,17H,2,5-8,13-16H2,(H2,22,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319681
(1-(6-(2-methoxyphenyl)pyridin-3-yl)-3-(4-(piperidi...)Show InChI InChI=1S/C22H30N4O2/c1-28-21-10-4-3-9-19(21)20-12-11-18(17-24-20)25-22(27)23-13-5-8-16-26-14-6-2-7-15-26/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H2,23,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319682
(1-(6-(2-fluorophenyl)pyridin-3-yl)-3-(4-(piperidin...)Show InChI InChI=1S/C21H27FN4O/c22-19-9-3-2-8-18(19)20-11-10-17(16-24-20)25-21(27)23-12-4-7-15-26-13-5-1-6-14-26/h2-3,8-11,16H,1,4-7,12-15H2,(H2,23,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319673
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319683
(1-(6'-fluoro-2,3'-bipyridin-5-yl)-3-(4-(piperidin-...)Show InChI InChI=1S/C20H26FN5O/c21-19-9-6-16(14-24-19)18-8-7-17(15-23-18)25-20(27)22-10-2-5-13-26-11-3-1-4-12-26/h6-9,14-15H,1-5,10-13H2,(H2,22,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50319684
(1-(2,2'-bipyridin-5-yl)-3-(4-(piperidin-1-yl)butyl...)Show InChI InChI=1S/C20H27N5O/c26-20(22-12-4-7-15-25-13-5-1-6-14-25)24-17-9-10-19(23-16-17)18-8-2-3-11-21-18/h2-3,8-11,16H,1,4-7,12-15H2,(H2,22,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420609
(CHEMBL2087456)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCCC2)[nH]n1 Show InChI InChI=1S/C21H30N4O2/c1-27-18-11-9-17(10-12-18)19-16-20(24-23-19)22-21(26)8-4-7-15-25-13-5-2-3-6-14-25/h9-12,16H,2-8,13-15H2,1H3,(H2,22,23,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420610
(CHEMBL2087457)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O3/c1-26-17-8-6-16(7-9-17)18-15-19(23-22-18)21-20(25)5-2-3-10-24-11-4-13-27-14-12-24/h6-9,15H,2-5,10-14H2,1H3,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50399293
(CHEMBL2086582)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1 Show InChI InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50420611
(CHEMBL2086584)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)C(C)CCCN2CCCN(CC2)C(C)=O)[nH]n1 Show InChI InChI=1S/C23H33N5O3/c1-17(6-4-11-27-12-5-13-28(15-14-27)18(2)29)23(30)24-22-16-21(25-26-22)19-7-9-20(31-3)10-8-19/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,24,25,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420604
(CHEMBL2087443)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-3-6-14-24-12-4-2-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420605
(CHEMBL2087445)Show InChI InChI=1S/C20H28N4O2/c1-26-18-10-4-3-9-16(18)17-15-19(23-22-17)21-20(25)11-5-8-14-24-12-6-2-7-13-24/h3-4,9-10,15H,2,5-8,11-14H2,1H3,(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420606
(CHEMBL2087447)Show InChI InChI=1S/C19H25FN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420607
(CHEMBL2087448)Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1 Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420610
(CHEMBL2087457)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O3/c1-26-17-8-6-16(7-9-17)18-15-19(23-22-18)21-20(25)5-2-3-10-24-11-4-13-27-14-12-24/h6-9,15H,2-5,10-14H2,1H3,(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50399293
(CHEMBL2086582)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1 Show InChI InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420611
(CHEMBL2086584)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)C(C)CCCN2CCCN(CC2)C(C)=O)[nH]n1 Show InChI InChI=1S/C23H33N5O3/c1-17(6-4-11-27-12-5-13-28(15-14-27)18(2)29)23(30)24-22-16-21(25-26-22)19-7-9-20(31-3)10-8-19/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,24,25,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420608
(CHEMBL2087453)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCOCC2)[nH]n1 Show InChI InChI=1S/C19H26N4O3/c1-25-16-7-5-15(6-8-16)17-14-18(22-21-17)20-19(24)4-2-3-9-23-10-12-26-13-11-23/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50420609
(CHEMBL2087456)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCCC2)[nH]n1 Show InChI InChI=1S/C21H30N4O2/c1-27-18-11-9-17(10-12-18)19-16-20(24-23-19)22-21(26)8-4-7-15-25-13-5-2-3-6-14-25/h9-12,16H,2-8,13-15H2,1H3,(H2,22,23,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50399289
(CHEMBL2180835)Show InChI InChI=1S/C19H26N4O2/c1-25-16-9-7-15(8-10-16)17-14-18(22-21-17)20-19(24)6-5-13-23-11-3-2-4-12-23/h7-10,14H,2-6,11-13H2,1H3,(H2,20,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at alpha3 nAchR in human SH-SY5Y cells assessed as stimulation of calcium flux by FLIPR |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50399289
(CHEMBL2180835)Show InChI InChI=1S/C19H26N4O2/c1-25-16-9-7-15(8-10-16)17-14-18(22-21-17)20-19(24)6-5-13-23-11-3-2-4-12-23/h7-10,14H,2-6,11-13H2,1H3,(H2,20,21,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3R expressed in HEK293 cells assessed as stimulation of calcium flux by FLIPR |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50399290
(CHEMBL2180836)Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-6-14-24-12-4-2-3-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT3R expressed in HEK293 cells assessed as stimulation of calcium flux by FLIPR |
J Med Chem 55: 10277-81 (2012)
Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50319673
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha2A receptor |
J Med Chem 53: 4379-89 (2010)
Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50420612
(CHEMBL2087437)Show InChI InChI=1S/C22H27ClN2O/c23-20-11-7-18(8-12-20)19-9-13-21(14-10-19)24-22(26)6-2-5-17-25-15-3-1-4-16-25/h7-14H,1-6,15-17H2,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as calcium influx measured every 1 sec for 1 min followed by every 30 secs for... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50420613
(CHEMBL2086404)Show InChI InChI=1S/C22H28ClN3O/c23-20-10-6-18(7-11-20)19-8-12-21(13-9-19)25-22(27)24-14-2-5-17-26-15-3-1-4-16-26/h6-13H,1-5,14-17H2,(H2,24,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 780 | n/a | n/a | n/a | n/a |
Siena Biotech SpA
Curated by ChEMBL
| Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as calcium influx measured every 1 sec for 1 min followed by every 30 secs for... |
J Med Chem 55: 4806-23 (2012)
Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7 |
More data for this
Ligand-Target Pair | |
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