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BDBM50171235 5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole::CHEMBL364005

SMILES: Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1

InChI Key: InChIKey=BPPGPYJBCVXILI-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50171235   
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))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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PubMed
n/an/a 7.40n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 2A receptor in human


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 3 receptor expressed in NG 108 cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
UniProtKB/SwissProt

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n/an/a 620n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor in guinea pig


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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PubMed
n/an/a 450n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 2C receptor in human


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 7 receptor in human


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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PubMed
n/an/a 7.40n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 6 receptor in human


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
PDB

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n/an/a 180n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor in rat


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
PDB

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PubMed
n/an/a 110n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor in calf


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50171235
PNG
(5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor in rat


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair