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BDBM50274920 5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indole::CHEMBL456654

SMILES: C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=ABAOWFCFAADMKA-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50274920   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50274920
PNG
(5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indol...)
Show SMILES C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H19N3/c1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-6,8-9,11,19,21H,7,10,12-13H2
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8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of NET (unknown origin)


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50274920
PNG
(5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indol...)
Show SMILES C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H19N3/c1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-6,8-9,11,19,21H,7,10,12-13H2
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53n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of SERT (unknown origin)


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50274920
PNG
(5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indol...)
Show SMILES C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H19N3/c1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-6,8-9,11,19,21H,7,10,12-13H2
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62n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin)


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50274920
PNG
(5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indol...)
Show SMILES C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H19N3/c1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-6,8-9,11,19,21H,7,10,12-13H2
PDB

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n/an/a 3.50E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence based assay


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50274920
PNG
(5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indol...)
Show SMILES C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H19N3/c1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-6,8-9,11,19,21H,7,10,12-13H2
PDB
MMDB

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



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair