Found 57 hits of Enzyme Inhibition Constant Data 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 3A
(Homo sapiens (Human)) | BDBM50459886
(CHEMBL261010)Show InChI InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from human 5-HT3A receptor expressed in HEK293 cells by scintillation counting method |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50459882
(CHEMBL4060185)Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3 | UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro15-1788 from human GABAA receptor alpha1beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50459882
(CHEMBL4060185)Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro15-1788 from human GABAA receptor alpha3beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50459882
(CHEMBL4060185)Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro15-1788 from human GABAA receptor alpha5beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50459882
(CHEMBL4060185)Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3 | 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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro15-1788 from human GABAA receptor alpha6beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Homo sapiens (Human)) | BDBM50459886
(CHEMBL261010)Show InChI InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]granisetron from human 5-HT3AB receptor expressed in HEK293 cells by scintillation counting method |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2
(Rattus norvegicus (Rat)-RAT) | BDBM50459892
(CHEMBL4228824)Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12| Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha5beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2
(Rattus norvegicus (Rat)) | BDBM50459892
(CHEMBL4228824)Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12| Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha2beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Rattus norvegicus (Rat)) | BDBM50459892
(CHEMBL4228824)Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12| Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha3beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Rattus norvegicus (Rat)) | BDBM50459892
(CHEMBL4228824)Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12| Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha1beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
GABA A receptor alpha-4/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50459882
(CHEMBL4060185)Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro15-4313 from human GABAA receptor alpha4beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50459882
(CHEMBL4060185)Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]Ro15-1788 from human GABAA receptor alpha2beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50459883
(CHEMBL4228983)Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1 |r,wU:3.2,THB:2:3:6.7:10.9,(14.8,-46.54,;14.57,-45.02,;13.14,-44.45,;11.94,-45.41,;12.23,-46.92,;10.76,-46.23,;9.1,-46.94,;8.89,-45.45,;10.48,-44.76,;10.55,-42.99,;10.95,-44.13,;15.78,-44.06,;15.54,-42.54,;16.74,-41.58,;18.18,-42.14,;19.38,-41.19,;20.8,-41.75,;21.04,-43.27,;19.83,-44.22,;18.41,-43.66,;17.21,-44.63,)| Show InChI InChI=1S/C17H19N3O/c21-17(19-16-11-20-8-5-12(16)6-9-20)14-3-4-15-13(10-14)2-1-7-18-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,19,21)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 5-HT3A receptor expressed in HEK293 cell membranes using 5-HT as substrate in presence of [3H]GR65630 |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50459888
(CHEMBL4225157)Show SMILES C#CCNc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C26H30N6/c1-2-13-29-25-23(18-27)17-24(19-28)26(31-25)30-14-7-6-8-21-11-15-32(16-12-21)20-22-9-4-3-5-10-22/h1,3-5,9-10,17,21H,6-8,11-16,20H2,(H2,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus oocytes at -80 mV holding potential by electro-physiological analysis |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Homo sapiens (Human)) | BDBM50459885
(CHEMBL1382868)Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human 5-HT3AB receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50459885
(CHEMBL1382868)Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human 5-HT3A receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3E
(Homo sapiens (Human)) | BDBM50459885
(CHEMBL1382868)Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human 5-HT3AE receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3C
(Homo sapiens (Human)) | BDBM50459885
(CHEMBL1382868)Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20) | PDB MMDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human 5-HT3AC receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50459888
(CHEMBL4225157)Show SMILES C#CCNc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C26H30N6/c1-2-13-29-25-23(18-27)17-24(19-28)26(31-25)30-14-7-6-8-21-11-15-32(16-12-21)20-22-9-4-3-5-10-22/h1,3-5,9-10,17,21H,6-8,11-16,20H2,(H2,29,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as inhibition of serotonin-induced peak currents |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50459883
(CHEMBL4228983)Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1 |r,wU:3.2,THB:2:3:6.7:10.9,(14.8,-46.54,;14.57,-45.02,;13.14,-44.45,;11.94,-45.41,;12.23,-46.92,;10.76,-46.23,;9.1,-46.94,;8.89,-45.45,;10.48,-44.76,;10.55,-42.99,;10.95,-44.13,;15.78,-44.06,;15.54,-42.54,;16.74,-41.58,;18.18,-42.14,;19.38,-41.19,;20.8,-41.75,;21.04,-43.27,;19.83,-44.22,;18.41,-43.66,;17.21,-44.63,)| Show InChI InChI=1S/C17H19N3O/c21-17(19-16-11-20-8-5-12(16)6-9-20)14-3-4-15-13(10-14)2-1-7-18-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,19,21)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at rat brain membrane alpha7 nAChR |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of alpha4beta2 nAChR (unknown origin) |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-2/beta
(Homo sapiens (Human)) | BDBM50459893
(Gelsemine)Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6| Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human glycine receptor alpha2beta expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of 5-HT3 receptor (unknown origin) |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-1/beta
(Homo sapiens (Human)) | BDBM50459893
(Gelsemine)Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6| Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human glycine receptor alpha1beta expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Mus musculus-Rattus norvegicus (Rat)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of C57BL/6 mouse GABAA receptor alpha1beta3gamma2 |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit beta
(Homo sapiens (Human)) | BDBM50459893
(Gelsemine)Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6| Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human glycine receptor alpha3beta expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50459894
(CHEBI:17580 | Linalool)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]=[#6] Show InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human 5-HT3A receptor expressed in Xenopus laevis oocytes assessed as HT-induced current by electrophysiological method |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50459887
(Cineole | Eucalyptol | FEMA NO. 2465 | NSC-6171)Show SMILES CC12CCC(CC1)C(C)(C)O2 |(11.48,-8.16,;11.51,-6.62,;9.94,-7.29,;9.74,-5.88,;11.24,-5.23,;11.31,-3.55,;11.77,-4.68,;12.62,-5.85,;14.13,-5.55,;13.25,-4.44,;12.91,-7.27,)| Show InChI InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human 5-HT3A receptor expressed in Xenopus laevis oocytes assessed as HT-induced current by electrophysiological method |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50459889
(CHEMBL4224740)Show InChI InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3/b9-5+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of recombinant wild type GABAA receptor alpha2beta2gamma2S (unknown origin) expressed in HEK293 cells assessed as pote... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
GABA A receptor alpha-1/beta-1/gamma-2
(Homo sapiens (Human)) | BDBM50459890
(Bromophene | CHEBI:70620)Show InChI InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human GABAA receptor alpha1beta1gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiolog... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-4
(Homo sapiens (Human)) | BDBM50459884
(CHEMBL4228846)Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 237 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human alpha4beta4 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-1/beta
(Homo sapiens (Human)) | BDBM50229711
(CHEMBL4074873)Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 171 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50053615
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human 5-HT43A receptor expressed in Xenopus laevis oocytes |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4
(Homo sapiens (Human)) | BDBM50459884
(CHEMBL4228846)Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 286 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human alpha2beta4 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50459890
(Bromophene | CHEBI:70620)Show InChI InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 720 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiolog... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50459893
(Gelsemine)Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6| Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 590 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of recombinant human glycine receptor alpha1 expressed in HEK293 cells assessed as increase in glycine-induced current... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit gamma-2
(Mus musculus) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta2gamma2 assessed as increase in GABA-induced current response at -60 mV hold... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/delta
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 163 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of GABAA receptor alpha4beta2delta (unknown origin) |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response af... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at 5-HT3 receptor (unknown origin) |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit beta
(Homo sapiens (Human)) | BDBM50229711
(CHEMBL4074873)Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha3beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Homo sapiens (Human)) | BDBM50053615
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human 5-HT43AB receptor expressed in Xenopus laevis oocytes |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50459884
(CHEMBL4228846)Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 446 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human alpha4beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-1/beta
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50459884
(CHEMBL4228846)Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 275 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human (alpha4beta2)2beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidi... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50459890
(Bromophene | CHEBI:70620)Show InChI InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human GABAA receptor alpha2beta2gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiolog... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin) |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50459889
(CHEMBL4224740)Show InChI InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3/b9-5+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of recombinant wild type GABAA receptor alpha3beta2gamma2S (unknown origin) expressed in HEK293 cells assessed as pote... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit beta
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 66 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha3beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50459895
(CHEMBL1314103)Show InChI InChI=1S/C17H15FN2O3S/c18-14-6-8-15(9-7-14)24(21,22)20-11-12-23-16-5-1-3-13-4-2-10-19-17(13)16/h1-10,20H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of recombinant human glycine receptor alpha3 expressed in CHOK1 cells at -60 mV holding potential by whole cell patch-... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50229711
(CHEMBL4074873)Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 327 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response af... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50229711
(CHEMBL4074873)Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 454 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as glycine-induced increase in current response a... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50459891
(CHEMBL4229086)Show InChI InChI=1S/C17H17F2NO2/c1-2-3-8-20-17(22)14-9-11(4-7-16(14)21)13-6-5-12(18)10-15(13)19/h4-7,9-10,21H,2-3,8H2,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Agonist activity at GABAA receptor in Sprague-Dawley rat forebrain membranes assessed as enhancement of [3H]muscimol binding after 2 hrs by radiometr... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2
(Homo sapiens (Human)) | BDBM50459884
(CHEMBL4228846)Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human alpha2beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as glycine-induced increase in current response a... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Mus musculus-Rattus norvegicus (Rat)) | BDBM50229715
(CHEMBL4070615)Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta3gamma2 assessed as increase in GABA-induced current response at -60 mV hold... |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 374 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) |
Bioorg Med Chem Lett 27: 3207-3218 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR |
More data for this Ligand-Target Pair | |