BindingDB logo
myBDB logout

PubMed code 22153937

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361051
PNG
(CHEMBL1935590)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361055
PNG
(CHEMBL1935599)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361052
PNG
(CHEMBL1935589 | CHEMBL1949758)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361058
PNG
(CHEMBL1935594)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H18FNO3S/c1-19(2)18-16(8-9-21-19)15-7-6-14(11-17(15)24-18)25(22,23)13-5-3-4-12(20)10-13/h3-7,10-11,21H,8-9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361050
PNG
(CHEMBL1935592)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C18H17NO4S/c1-22-12-3-2-4-13(9-12)24(20,21)14-5-6-15-16-7-8-19-11-18(16)23-17(15)10-14/h2-6,9-10,19H,7-8,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361051
PNG
(CHEMBL1935590)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361049
PNG
(CHEMBL1935593)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H19NO3S/c1-19(2)18-16(10-11-20-19)15-9-8-14(12-17(15)23-18)24(21,22)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361052
PNG
(CHEMBL1935589 | CHEMBL1949758)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361055
PNG
(CHEMBL1935599)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361057
PNG
(CHEMBL1935597)
Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F
Show InChI InChI=1S/C19H16F3NO3S/c1-19(18(21)22)17-15(7-8-23-19)14-6-5-13(10-16(14)26-17)27(24,25)12-4-2-3-11(20)9-12/h2-6,9-10,18,23H,7-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16.9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361061
PNG
(CHEMBL1935595)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC(C)(C)c3oc2c1
Show InChI InChI=1S/C20H21NO4S/c1-20(2)19-17(9-10-21-20)16-8-7-15(12-18(16)25-19)26(22,23)14-6-4-5-13(11-14)24-3/h4-8,11-12,21H,9-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361056
PNG
(CHEMBL1935598)
Show SMILES COCC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H20FNO4S/c1-20(12-25-2)19-17(8-9-22-20)16-7-6-15(11-18(16)26-19)27(23,24)14-5-3-4-13(21)10-14/h3-7,10-11,22H,8-9,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361058
PNG
(CHEMBL1935594)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H18FNO3S/c1-19(2)18-16(8-9-21-19)15-7-6-14(11-17(15)24-18)25(22,23)13-5-3-4-12(20)10-13/h3-7,10-11,21H,8-9H2,1-2H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361062
PNG
(CHEMBL1935591)
Show SMILES Fc1ccc(cc1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H14FNO3S/c18-11-1-3-12(4-2-11)23(20,21)13-5-6-14-15-7-8-19-10-17(15)22-16(14)9-13/h1-6,9,19H,7-8,10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361054
PNG
(CHEMBL1935600)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOC4)c3oc2c1
Show InChI InChI=1S/C20H18FNO4S/c21-13-2-1-3-14(10-13)27(23,24)15-4-5-16-17-6-8-22-20(7-9-25-12-20)19(17)26-18(16)11-15/h1-5,10-11,22H,6-9,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361050
PNG
(CHEMBL1935592)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C18H17NO4S/c1-22-12-3-2-4-13(9-12)24(20,21)14-5-6-15-16-7-8-19-11-18(16)23-17(15)10-14/h2-6,9-10,19H,7-8,11H2,1H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38.3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361049
PNG
(CHEMBL1935593)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H19NO3S/c1-19(2)18-16(10-11-20-19)15-9-8-14(12-17(15)23-18)24(21,22)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361059
PNG
(CHEMBL1935588)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2oc3CNCCc3c2c1
Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-16-15(10-13)14-8-9-18-11-17(14)21-16/h1-7,10,18H,8-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361056
PNG
(CHEMBL1935598)
Show SMILES COCC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H20FNO4S/c1-20(12-25-2)19-17(8-9-22-20)16-7-6-15(11-18(16)26-19)27(23,24)14-5-3-4-13(21)10-14/h3-7,10-11,22H,8-9,12H2,1-2H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
113n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361054
PNG
(CHEMBL1935600)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOC4)c3oc2c1
Show InChI InChI=1S/C20H18FNO4S/c21-13-2-1-3-14(10-13)27(23,24)15-4-5-16-17-6-8-22-20(7-9-25-12-20)19(17)26-18(16)11-15/h1-5,10-11,22H,6-9,12H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
132n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361060
PNG
(CHEMBL1935596)
Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F4NO3S/c1-18(19(21,22)23)17-15(7-8-24-18)14-6-5-13(10-16(14)27-17)28(25,26)12-4-2-3-11(20)9-12/h2-6,9-10,24H,7-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
139n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361059
PNG
(CHEMBL1935588)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2oc3CNCCc3c2c1
Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-16-15(10-13)14-8-9-18-11-17(14)21-16/h1-7,10,18H,8-9,11H2
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
156n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50361057
PNG
(CHEMBL1935597)
Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F
Show InChI InChI=1S/C19H16F3NO3S/c1-19(18(21)22)17-15(7-8-23-19)14-6-5-13(10-16(14)26-17)27(24,25)12-4-2-3-11(20)9-12/h2-6,9-10,18,23H,7-8H2,1H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
183n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361051
PNG
(CHEMBL1935590)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361055
PNG
(CHEMBL1935599)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361052
PNG
(CHEMBL1935589 | CHEMBL1949758)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361058
PNG
(CHEMBL1935594)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H18FNO3S/c1-19(2)18-16(8-9-21-19)15-7-6-14(11-17(15)24-18)25(22,23)13-5-3-4-12(20)10-13/h3-7,10-11,21H,8-9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11.7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361050
PNG
(CHEMBL1935592)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C18H17NO4S/c1-22-12-3-2-4-13(9-12)24(20,21)14-5-6-15-16-7-8-19-11-18(16)23-17(15)10-14/h2-6,9-10,19H,7-8,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361054
PNG
(CHEMBL1935600)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOC4)c3oc2c1
Show InChI InChI=1S/C20H18FNO4S/c21-13-2-1-3-14(10-13)27(23,24)15-4-5-16-17-6-8-22-20(7-9-25-12-20)19(17)26-18(16)11-15/h1-5,10-11,22H,6-9,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361049
PNG
(CHEMBL1935593)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H19NO3S/c1-19(2)18-16(10-11-20-19)15-9-8-14(12-17(15)23-18)24(21,22)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361057
PNG
(CHEMBL1935597)
Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F
Show InChI InChI=1S/C19H16F3NO3S/c1-19(18(21)22)17-15(7-8-23-19)14-6-5-13(10-16(14)26-17)27(24,25)12-4-2-3-11(20)9-12/h2-6,9-10,18,23H,7-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50361061
PNG
(CHEMBL1935595)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC(C)(C)c3oc2c1
Show InChI InChI=1S/C20H21NO4S/c1-20(2)19-17(9-10-21-20)16-8-7-15(12-18(16)25-19)26(22,23)14-6-4-5-13(11-14)24-3/h4-8,11-12,21H,9-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68.6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation af...


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361058
PNG
(CHEMBL1935594)
Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H18FNO3S/c1-19(2)18-16(8-9-21-19)15-7-6-14(11-17(15)24-18)25(22,23)13-5-3-4-12(20)10-13/h3-7,10-11,21H,8-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361051
PNG
(CHEMBL1935590)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2B receptor


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361057
PNG
(CHEMBL1935597)
Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F
Show InChI InChI=1S/C19H16F3NO3S/c1-19(18(21)22)17-15(7-8-23-19)14-6-5-13(10-16(14)26-17)27(24,25)12-4-2-3-11(20)9-12/h2-6,9-10,18,23H,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361060
PNG
(CHEMBL1935596)
Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F4NO3S/c1-18(19(21,22)23)17-15(7-8-24-18)14-6-5-13(10-16(14)27-17)28(25,26)12-4-2-3-11(20)9-12/h2-6,9-10,24H,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50361053
PNG
(CHEMBL1935601)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50361055
PNG
(CHEMBL1935599)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1
Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch express assay


Bioorg Med Chem Lett 22: 120-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%