Found 66 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 6
(Homo sapiens (Human)) | BDBM50354607
(CHEMBL1834337)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1F)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18ClFN4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)12-7-5-6-11(15)13(12)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354608
(CHEMBL1834342)Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)s1)N1CC(CC)C=N1 |w:2.1,c:20| Show InChI InChI=1S/C12H17ClN4O2S2/c1-3-9-7-15-17(8-9)12(14-4-2)16-21(18,19)11-6-5-10(13)20-11/h5-7,9H,3-4,8H2,1-2H3,(H,14,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354609
(CHEMBL1834348)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354610
(CHEMBL1834338)Show SMILES CCN=C(NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354611
(CHEMBL1834347)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCC2)C=N1 |w:2.1,c:24| Show InChI InChI=1S/C16H21ClN4O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354612
(CHEMBL1834350)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354614
(CHEMBL1834341)Show SMILES CCNC(=NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C=N1 |w:4.4,c:24| Show InChI InChI=1S/C13H17ClN6O2S2/c1-3-9-7-16-20(8-9)12(15-4-2)18-24(21,22)11-10(14)17-13-19(11)5-6-23-13/h5-7,9H,3-4,8H2,1-2H3,(H,15,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354613
(CHEMBL1834333)Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-12(15)13(16)7-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354615
(CHEMBL1834230)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)C=N1 |w:2.1,c:20| Show InChI InChI=1S/C13H17ClN4O2S/c1-3-15-13(18-9-10(2)8-16-18)17-21(19,20)12-6-4-5-11(14)7-12/h4-8,10H,3,9H2,1-2H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354616
(CHEMBL1834238)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccco1 |w:2.1,c:17| Show InChI InChI=1S/C16H17ClN4O3S/c1-2-18-16(20-25(22,23)13-6-3-5-12(17)11-13)21-14(8-9-19-21)15-7-4-10-24-15/h3-7,9-11,14H,2,8H2,1H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354617
(CHEMBL1834340)Show SMILES CCNC(=NS(=O)c1sc2ccc(Cl)cc2c1C)N1CC(CC)C=N1 |w:4.4,c:25| Show InChI InChI=1S/C17H21ClN4OS2/c1-4-12-9-20-22(10-12)17(19-5-2)21-25(23)16-11(3)14-8-13(18)6-7-15(14)24-16/h6-9,12H,4-5,10H2,1-3H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354618
(CHEMBL1834235)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@H]1c1ccccc1 |r,w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354619
(CHEMBL1834227)Show SMILES CCCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:3.2,c:22| Show InChI InChI=1S/C15H21ClN4O2S/c1-3-8-17-15(20-11-12(4-2)10-18-20)19-23(21,22)14-7-5-6-13(16)9-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354587
(CHEMBL1834241)Show SMILES CCN=C(NS(=O)(=O)c1cccc(F)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19FN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354588
(CHEMBL1834339)Show SMILES CCN=C(NS(=O)(=O)c1ccc2ccccc2c1)N1CC(CC)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-10-9-15-7-5-6-8-16(15)11-17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354589
(CHEMBL1834228)Show SMILES CCC1CN(N=C1)C(NS(=O)(=O)c1cccc(Cl)c1)=NC |w:19.21,c:5| Show InChI InChI=1S/C13H17ClN4O2S/c1-3-10-8-16-18(9-10)13(15-2)17-21(19,20)12-6-4-5-11(14)7-12/h4-8,10H,3,9H2,1-2H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354590
(CHEMBL1834242)Show SMILES CCN=C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)N1CC(CC)C=N1 |w:2.1,c:24| Show InChI InChI=1S/C15H19F3N4O2S/c1-3-11-9-20-22(10-11)14(19-4-2)21-25(23,24)13-7-5-6-12(8-13)15(16,17)18/h5-9,11H,3-4,10H2,1-2H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354591
(CHEMBL1834240)Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-12(15)6-8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354592
(CHEMBL1834334)Show SMILES CCN=C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)13-6-11(15)5-12(16)7-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 23.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354593
(CHEMBL1834345)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354594
(CHEMBL1834229)Show SMILES CCC1CN(N=C1)C(=N)NS(=O)(=O)c1cccc(Cl)c1 |c:5| Show InChI InChI=1S/C12H15ClN4O2S/c1-2-9-7-15-17(8-9)12(14)16-20(18,19)11-5-3-4-10(13)6-11/h3-7,9H,2,8H2,1H3,(H2,14,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354595
(CHEMBL1834332)Show SMILES CCN=C(NS(=O)(=O)c1cccc(OC)c1)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C15H22N4O3S/c1-4-12-10-17-19(11-12)15(16-5-2)18-23(20,21)14-8-6-7-13(9-14)22-3/h6-10,12H,4-5,11H2,1-3H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 26.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354596
(CHEMBL1834243)Show SMILES CCN=C(NS(=O)(=O)c1cccc(C)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C15H22N4O2S/c1-4-13-10-17-19(11-13)15(16-5-2)18-22(20,21)14-8-6-7-12(3)9-14/h6-10,13H,4-5,11H2,1-3H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354597
(CHEMBL1834221)Show SMILES CCN=C(NS(=O)(=O)c1ccccc1Cl)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-8-6-5-7-12(13)15/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354599
(CHEMBL1834231)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC=N1 |w:2.1,c:19| Show InChI InChI=1S/C12H15ClN4O2S/c1-2-14-12(17-8-4-7-15-17)16-20(18,19)11-6-3-5-10(13)9-11/h3,5-7,9H,2,4,8H2,1H3,(H,14,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354598
(CHEMBL1834225)Show SMILES CCN=C(NS(=O)(=O)c1ccccc1)N1CC(CC)C=N1 |w:2.1,c:20| Show InChI InChI=1S/C14H20N4O2S/c1-3-12-10-16-18(11-12)14(15-4-2)17-21(19,20)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354600
(CHEMBL1834346)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)(CC)C=N1 |w:2.1,c:23| Show InChI InChI=1S/C16H23ClN4O2S/c1-4-16(5-2)11-19-21(12-16)15(18-6-3)20-24(22,23)14-9-7-8-13(17)10-14/h7-11H,4-6,12H2,1-3H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 49.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354601
(CHEMBL1834349)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCOCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H21ClN4O3S/c1-2-18-15(20-25(22,23)14-5-3-4-13(17)10-14)21-12-16(11-19-21)6-8-24-9-7-16/h3-5,10-11H,2,6-9,12H2,1H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 71.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354602
(CHEMBL1834351)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CF)(CF)C=N1 |w:2.1,c:23| Show InChI InChI=1S/C14H17ClF2N4O2S/c1-2-18-13(21-10-14(7-16,8-17)9-19-21)20-24(22,23)12-5-3-4-11(15)6-12/h3-6,9H,2,7-8,10H2,1H3,(H,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354621
(CHEMBL1834222)Show SMILES CCC1CN(N=C1)C(NS(=O)(=O)c1ccccc1Cl)=NCc1ccccc1 |w:19.21,c:5| Show InChI InChI=1S/C19H21ClN4O2S/c1-2-15-13-22-24(14-15)19(21-12-16-8-4-3-5-9-16)23-27(25,26)18-11-7-6-10-17(18)20/h3-11,13,15H,2,12,14H2,1H3,(H,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354579
(CHEMBL1834335)Show SMILES CCN=C(NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)13-7-11(15)5-6-12(13)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354580
(CHEMBL1834239)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccc(F)cc1 |w:2.1,c:17| Show InChI InChI=1S/C18H18ClFN4O2S/c1-2-21-18(23-27(25,26)16-5-3-4-14(19)12-16)24-17(10-11-22-24)13-6-8-15(20)9-7-13/h3-9,11-12,17H,2,10H2,1H3,(H,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354581
(CHEMBL1834352)Show SMILES CCN=C(NS(=O)(=O)c1ccccc1)N1CC(C)(C)C=N1 |w:2.1,c:20| Show InChI InChI=1S/C14H20N4O2S/c1-4-15-13(18-11-14(2,3)10-16-18)17-21(19,20)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354582
(CHEMBL1834336)Show SMILES CCN=C(NS(=O)(=O)c1c(Cl)cccc1Cl)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)13-11(15)6-5-7-12(13)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354620
(CHEMBL1834232)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC(C)=N1 |w:2.1,c:20| Show InChI InChI=1S/C13H17ClN4O2S/c1-3-15-13(18-8-7-10(2)16-18)17-21(19,20)12-6-4-5-11(14)9-12/h4-6,9H,3,7-8H2,1-2H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354583
(CHEMBL1834237)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccncc1 |w:2.1,c:17| Show InChI InChI=1S/C17H18ClN5O2S/c1-2-20-17(22-26(24,25)15-5-3-4-14(18)12-15)23-16(8-11-21-23)13-6-9-19-10-7-13/h3-7,9-12,16H,2,8H2,1H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 322 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354584
(CHEMBL1834343)Show SMILES CCN=C(NS(=O)(=O)c1c(C)nn(C)c1Cl)N1CC(CC)C=N1 |w:2.1,c:22| Show InChI InChI=1S/C13H21ClN6O2S/c1-5-10-7-16-20(8-10)13(15-6-2)18-23(21,22)11-9(3)17-19(4)12(11)14/h7,10H,5-6,8H2,1-4H3,(H,15,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT2A receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT2A receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT1A receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT2C receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT2C receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354603
(CHEMBL1834233)Show SMILES CCC1CN(N=C1)C(=NS(=O)(=O)c1cccc(Cl)c1)N(C)C |w:8.9,c:5| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-11-9-16-19(10-11)14(18(2)3)17-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,4,10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354606
(CHEMBL1834224)Show SMILES CCC1CN(N=C1)C(NS(=O)(=O)c1ccccc1Cl)=NC(C)C |w:19.21,c:5| Show InChI InChI=1S/C15H21ClN4O2S/c1-4-12-9-17-20(10-12)15(18-11(2)3)19-23(21,22)14-8-6-5-7-13(14)16/h5-9,11-12H,4,10H2,1-3H3,(H,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT1D receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354605
(CHEMBL1834223)Show SMILES CCC1CN(N=C1)C(NS(=O)(=O)c1ccccc1Cl)=Nc1ccccc1 |w:19.21,c:5| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-14-12-20-23(13-14)18(21-15-8-4-3-5-9-15)22-26(24,25)17-11-7-6-10-16(17)19/h3-12,14H,2,13H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human dopamine D2 receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human dopamine D2 receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT1A receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50354604
(CHEMBL1834236)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@@H]1c1ccccc1 |r,w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT7 receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT1D receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT7 receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50354612
(CHEMBL1834350)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human 5-HT3 receptor |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50354612
(CHEMBL1834350)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50354585
(CHEMBL1834226)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50354593
(CHEMBL1834345)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of CYP 2C19 |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50354593
(CHEMBL1834345)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of CYP 2C9 |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50354593
(CHEMBL1834345)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of CYP 2D6 |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50354586
(CHEMBL1834234)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17| Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50354593
(CHEMBL1834345)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of CYP 1A2 |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50354593
(CHEMBL1834345)Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Healthcare Products B.V.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 54: 7030-54 (2011)
Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB |
More data for this
Ligand-Target Pair | |
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