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BDBM50354585 CHEMBL1834226

SMILES: CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1

InChI Key: InChIKey=MKGZFKFZQDUADL-UHFFFAOYSA-N

Data: 10 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50354585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50354585
PNG
(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)
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2.80n/an/an/an/an/an/an/an/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 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(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)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(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)
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7.90n/an/an/an/an/an/an/an/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 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(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)
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16.4n/an/an/an/an/an/an/an/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))
BDBM50354585
PNG
(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)
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>1.00E+3n/an/an/an/an/an/an/an/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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50354585
PNG
(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)
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>1.00E+3n/an/an/an/an/an/an/an/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 2A


(Homo sapiens (Human))
BDBM50354585
PNG
(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)
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>1.00E+3n/an/an/an/an/an/an/an/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 1D


(Homo sapiens (Human))
BDBM50354585
PNG
(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)
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>1.00E+3n/an/an/an/an/an/an/an/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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50354585
PNG
(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)
UniProtKB/SwissProt

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>1.00E+3n/an/an/an/an/an/an/an/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))
BDBM50354585
PNG
(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)
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>1.00E+3n/an/an/an/an/an/an/an/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50354585
PNG
(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

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n/an/a>1.00E+4n/an/an/an/an/an/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