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BDBM50176266 (S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine::CHEMBL202458

SMILES: C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1

InChI Key: InChIKey=CARSKLMPPXNAOS-HNNXBMFYSA-N

Data: 3 KI  3 EC50

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 6 hits for monomerid = 50176266   
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))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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16n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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138n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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398n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 359n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
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PubMed
n/an/an/an/a 20n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 42n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair