Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50038894 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)) | BDBM82561
(CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295828
(3-(4-methoxybenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl...)Show SMILES COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H28N4O4/c1-32-19-8-5-17(6-9-19)16-28-23(30)20-10-7-18(15-21(20)26-24(28)31)22(29)25-11-14-27-12-3-2-4-13-27/h5-10,15H,2-4,11-14,16H2,1H3,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295834
(3-(4-chlorobenzyl)-N-(3-morpholinopropyl)-2,4-diox...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCOCC2)cc1 Show InChI InChI=1S/C23H25ClN4O4/c24-18-5-2-16(3-6-18)15-28-22(30)19-7-4-17(14-20(19)26-23(28)31)21(29)25-8-1-9-27-10-12-32-13-11-27/h2-7,14H,1,8-13,15H2,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295826
(3-(2-methoxybenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl...)Show SMILES COc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C24H28N4O4/c1-32-21-8-4-3-7-18(21)16-28-23(30)19-10-9-17(15-20(19)26-24(28)31)22(29)25-11-14-27-12-5-2-6-13-27/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295824
(3-(4-methoxyphenyl)-2,4-dioxo-N-(2-(piperidin-1-yl...)Show SMILES COc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C23H26N4O4/c1-31-18-8-6-17(7-9-18)27-22(29)19-10-5-16(15-20(19)25-23(27)30)21(28)24-11-14-26-12-3-2-4-13-26/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196473
(3-(4-fluorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Fc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H25FN4O3/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-13-27-11-2-1-3-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295823
(3-(4-fluorophenyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Fc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C22H23FN4O3/c23-16-5-7-17(8-6-16)27-21(29)18-9-4-15(14-19(18)25-22(27)30)20(28)24-10-13-26-11-2-1-3-12-26/h4-9,14H,1-3,10-13H2,(H,24,28)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50196475
(3-(4-chlorobenzyl)-2,4-dioxo-N-(3-(piperidin-1-yl)...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H27ClN4O3/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15H,1-4,11-14,16H2,(H,26,30)(H,27,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity against T-type calcium channel alpha1G |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295829
(3-cyclohexyl-2,4-dioxo-N-(2-(piperidin-1-yl)ethyl)...)Show SMILES O=C(NCCN1CCCCC1)c1ccc2c(c1)[nH]c(=O)n(C1CCCCC1)c2=O Show InChI InChI=1S/C22H30N4O3/c27-20(23-11-14-25-12-5-2-6-13-25)16-9-10-18-19(15-16)24-22(29)26(21(18)28)17-7-3-1-4-8-17/h9-10,15,17H,1-8,11-14H2,(H,23,27)(H,24,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50196465
(3-(4-chlorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H25ClN4O3/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-13-27-11-2-1-3-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity against T-type calcium channel alpha1G |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295825
(3-(2-fluorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Fc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C23H25FN4O3/c24-19-7-3-2-6-17(19)15-28-22(30)18-9-8-16(14-20(18)26-23(28)31)21(29)25-10-13-27-11-4-1-5-12-27/h2-3,6-9,14H,1,4-5,10-13,15H2,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295832
(3-(2-chlorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Clc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C23H25ClN4O3/c24-19-7-3-2-6-17(19)15-28-22(30)18-9-8-16(14-20(18)26-23(28)31)21(29)25-10-13-27-11-4-1-5-12-27/h2-3,6-9,14H,1,4-5,10-13,15H2,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295830
(2,4-dioxo-N-(2-(piperidin-1-yl)ethyl)-3-propyl-1,2...)Show SMILES CCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C19H26N4O3/c1-2-9-23-18(25)15-7-6-14(13-16(15)21-19(23)26)17(24)20-8-12-22-10-4-3-5-11-22/h6-7,13H,2-5,8-12H2,1H3,(H,20,24)(H,21,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295831
(3-methyl-2,4-dioxo-N-(2-(piperidin-1-yl)ethyl)-1,2...)Show InChI InChI=1S/C17H22N4O3/c1-20-16(23)13-6-5-12(11-14(13)19-17(20)24)15(22)18-7-10-21-8-3-2-4-9-21/h5-6,11H,2-4,7-10H2,1H3,(H,18,22)(H,19,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196469
(3-(3-fluorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Fc1cccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)c1 Show InChI InChI=1S/C23H25FN4O3/c24-18-6-4-5-16(13-18)15-28-22(30)19-8-7-17(14-20(19)26-23(28)31)21(29)25-9-12-27-10-2-1-3-11-27/h4-8,13-14H,1-3,9-12,15H2,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50196478
(3-(4-chlorobenzyl)-2,4-dioxo-N-(2-(pyrrolidin-1-yl...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCC2)cc1 Show InChI InChI=1S/C22H23ClN4O3/c23-17-6-3-15(4-7-17)14-27-21(29)18-8-5-16(13-19(18)25-22(27)30)20(28)24-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12,14H2,(H,24,28)(H,25,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity against T-type calcium channel alpha1G |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295827
(3-(3-methoxybenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl...)Show SMILES COc1cccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)c1 Show InChI InChI=1S/C24H28N4O4/c1-32-19-7-5-6-17(14-19)16-28-23(30)20-9-8-18(15-21(20)26-24(28)31)22(29)25-10-13-27-11-3-2-4-12-27/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295833
(3-(4-chlorobenzyl)-N-(2-(2-methylpiperidin-1-yl)et...)Show SMILES CC1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C24H27ClN4O3/c1-16-4-2-3-12-28(16)13-11-26-22(30)18-7-10-20-21(14-18)27-24(32)29(23(20)31)15-17-5-8-19(25)9-6-17/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,26,30)(H,27,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196465
(3-(4-chlorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H25ClN4O3/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-13-27-11-2-1-3-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50196480
(3-(4-chlorobenzyl)-N-(2-(2-ethylpiperidin-1-yl)eth...)Show SMILES CCC1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C25H29ClN4O3/c1-2-20-5-3-4-13-29(20)14-12-27-23(31)18-8-11-21-22(15-18)28-25(33)30(24(21)32)16-17-6-9-19(26)10-7-17/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,27,31)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity against T-type calcium channel alpha1G |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196466
(3-(4-chlorobenzyl)-N-(3-(2-ethylpiperidin-1-yl)pro...)Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C26H31ClN4O3/c1-2-21-6-3-4-14-30(21)15-5-13-28-24(32)19-9-12-22-23(16-19)29-26(34)31(25(22)33)17-18-7-10-20(27)11-8-18/h7-12,16,21H,2-6,13-15,17H2,1H3,(H,28,32)(H,29,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196475
(3-(4-chlorobenzyl)-2,4-dioxo-N-(3-(piperidin-1-yl)...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H27ClN4O3/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15H,1-4,11-14,16H2,(H,26,30)(H,27,32) | 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 |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295835
(3-cyclohexyl-N-(3-(2-methylpiperidin-1-yl)propyl)-...)Show SMILES CC1CCCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(C1CCCCC1)c2=O Show InChI InChI=1S/C24H34N4O3/c1-17-8-5-6-14-27(17)15-7-13-25-22(29)18-11-12-20-21(16-18)26-24(31)28(23(20)30)19-9-3-2-4-10-19/h11-12,16-17,19H,2-10,13-15H2,1H3,(H,25,29)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196478
(3-(4-chlorobenzyl)-2,4-dioxo-N-(2-(pyrrolidin-1-yl...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCC2)cc1 Show InChI InChI=1S/C22H23ClN4O3/c23-17-6-3-15(4-7-17)14-27-21(29)18-8-5-16(13-19(18)25-22(27)30)20(28)24-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12,14H2,(H,24,28)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50196473
(3-(4-fluorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Fc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H25FN4O3/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-13-27-11-2-1-3-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity against T-type calcium channel alpha1G |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196472
(3-(4-chlorobenzyl)-N-(3-(2-methylpiperidin-1-yl)pr...)Show SMILES CC1CCCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C25H29ClN4O3/c1-17-5-2-3-13-29(17)14-4-12-27-23(31)19-8-11-21-22(15-19)28-25(33)30(24(21)32)16-18-6-9-20(26)10-7-18/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,27,31)(H,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50196480
(3-(4-chlorobenzyl)-N-(2-(2-ethylpiperidin-1-yl)eth...)Show SMILES CCC1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C25H29ClN4O3/c1-2-20-5-3-4-13-29(20)14-12-27-23(31)18-8-11-21-22(15-18)28-25(33)30(24(21)32)16-17-6-9-19(26)10-7-17/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,27,31)(H,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295822
(3-(4-chlorobenzyl)-N-(2-morpholinoethyl)-2,4-dioxo...)Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C22H23ClN4O4/c23-17-4-1-15(2-5-17)14-27-21(29)18-6-3-16(13-19(18)25-22(27)30)20(28)24-7-8-26-9-11-31-12-10-26/h1-6,13H,7-12,14H2,(H,24,28)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50196469
(3-(3-fluorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)Show SMILES Fc1cccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)c1 Show InChI InChI=1S/C23H25FN4O3/c24-18-6-4-5-16(13-18)15-28-22(30)19-8-7-17(14-20(19)26-23(28)31)21(29)25-9-12-27-10-2-1-3-11-27/h4-8,13-14H,1-3,9-12,15H2,(H,25,29)(H,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity against T-type calcium channel alpha1G |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295838
(3-(4-fluorobenzyl)-N-(2-morpholinoethyl)-2,4-dioxo...)Show SMILES Fc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C22H23FN4O4/c23-17-4-1-15(2-5-17)14-27-21(29)18-6-3-16(13-19(18)25-22(27)30)20(28)24-7-8-26-9-11-31-12-10-26/h1-6,13H,7-12,14H2,(H,24,28)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50295837
(3-(4-fluorophenyl)-N-(2-morpholinoethyl)-2,4-dioxo...)Show SMILES Fc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C21H21FN4O4/c22-15-2-4-16(5-3-15)26-20(28)17-6-1-14(13-18(17)24-21(26)29)19(27)23-7-8-25-9-11-30-12-10-25/h1-6,13H,7-12H2,(H,23,27)(H,24,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte |
Bioorg Med Chem 17: 4793-6 (2009)
Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R |
More data for this
Ligand-Target Pair | |
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