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BDBM50003038 CHEMBL26427::Dimethyl-[2-(3-methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethyl]-amine

SMILES: CN(C)CCc1cn(C)c2ccc3OCCCc3c12

InChI Key: InChIKey=IQIJKZDKEPJSMH-UHFFFAOYSA-N

Data: 5 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 = 50003038   
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 1D


(Homo sapiens (human))
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [3H]ketanserin as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [125I]DOI as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair