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BDBM50359434 CHEMBL1926753

SMILES: Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1

InChI Key: InChIKey=CXIGAAUKJDPSQU-ONEGZZNKSA-N

Data: 6 KI

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 = 50359434   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
63n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
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PC sid
UniChem

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



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley albinus rat frontal cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY278584 from 5HT3 receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 30 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley albinus rat striatal membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in Sprague-Dawley albinus rat striatal membranes after 30 mins by scintillation counting


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair