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BDBM50251612 5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide::CHEMBL480699

SMILES: COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1

InChI Key: InChIKey=BOLGHGNEFZUVST-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50251612   
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


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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PubMed
n/an/a 10.7n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
UniProtKB/SwissProt

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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]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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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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 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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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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 2A


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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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]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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50251612
PNG
(5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-...)
Show SMILES COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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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]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