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BDBM50251647 1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-yloxy)-pyridin-3-yl]-amide::CHEMBL516452

SMILES: Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1

InChI Key: InChIKey=SMRGPXRMTZVWME-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50251647   
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 2C (5-HT2C)


(Homo sapiens (human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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n/an/a 590n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned 5HT2C receptor expressed in CHO cell assessed as blockade of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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PubMed
n/an/a 0.5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine at human cloned 5HT2C receptor expressed in CHOK1 cell


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT7 receptor


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair