new BindingDB logo
myBDB logout

BDBM50036760 6-chloro-1'-phenethylspiro[1,2,3,4-tetrahydronaphthalene-2,4'-(hexahydropyridine)]-1-one::CHEMBL122761

SMILES: Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1

InChI Key: InChIKey=IWOPGTFNUXEULQ-UHFFFAOYSA-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 = 50036760   
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 2A


(Homo sapiens (Human))
BDBM50036760
PNG
(6-chloro-1'-phenethylspiro[1,2,3,4-tetrahydronapht...)
Show SMILES Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Show InChI InChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
16n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036760
PNG
(6-chloro-1'-phenethylspiro[1,2,3,4-tetrahydronapht...)
Show SMILES Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Show InChI InChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
25n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036760
PNG
(6-chloro-1'-phenethylspiro[1,2,3,4-tetrahydronapht...)
Show SMILES Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Show InChI InChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
35n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 100047 radioligand


J Med Chem 37: 364-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WD416F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50036760
PNG
(6-chloro-1'-phenethylspiro[1,2,3,4-tetrahydronapht...)
Show SMILES Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Show InChI InChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
850n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamine 2C receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036760
PNG
(6-chloro-1'-phenethylspiro[1,2,3,4-tetrahydronapht...)
Show SMILES Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Show InChI InChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]spiperone to human dopamine D2 (hD2) receptors stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036760
PNG
(6-chloro-1'-phenethylspiro[1,2,3,4-tetrahydronapht...)
Show SMILES Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Show InChI InChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor using [3H]spiperone in guinea pig striatum


J Med Chem 37: 364-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WD416F
More data for this
Ligand-Target Pair