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BDBM50108704 1'-(2,4-difluorophenethyl)-8-fluorospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]::CHEMBL149423

SMILES: Fc1ccc(CCN2CCC3(CC2)CCc2cccc(F)c2O3)c(F)c1

InChI Key: InChIKey=GIUIKVQZCWGRMY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50108704   
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))
BDBM50108704
PNG
(1'-(2,4-difluorophenethyl)-8-fluorospiro[3,4-dihyd...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2cccc(F)c2O3)c(F)c1
Show InChI InChI=1S/C21H22F3NO/c22-17-5-4-15(19(24)14-17)7-11-25-12-9-21(10-13-25)8-6-16-2-1-3-18(23)20(16)26-21/h1-5,14H,6-13H2
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KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
3.20n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108704
PNG
(1'-(2,4-difluorophenethyl)-8-fluorospiro[3,4-dihyd...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2cccc(F)c2O3)c(F)c1
Show InChI InChI=1S/C21H22F3NO/c22-17-5-4-15(19(24)14-17)7-11-25-12-9-21(10-13-25)8-6-16-2-1-3-18(23)20(16)26-21/h1-5,14H,6-13H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
3.30n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50108704
PNG
(1'-(2,4-difluorophenethyl)-8-fluorospiro[3,4-dihyd...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2cccc(F)c2O3)c(F)c1
Show InChI InChI=1S/C21H22F3NO/c22-17-5-4-15(19(24)14-17)7-11-25-12-9-21(10-13-25)8-6-16-2-1-3-18(23)20(16)26-21/h1-5,14H,6-13H2
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
PubMed
190n/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))
BDBM50108704
PNG
(1'-(2,4-difluorophenethyl)-8-fluorospiro[3,4-dihyd...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2cccc(F)c2O3)c(F)c1
Show InChI InChI=1S/C21H22F3NO/c22-17-5-4-15(19(24)14-17)7-11-25-12-9-21(10-13-25)8-6-16-2-1-3-18(23)20(16)26-21/h1-5,14H,6-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
840n/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