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BDBM50108713 1'-phenethylspiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]::CHEMBL148418

SMILES: C(Cc1ccccc1)N1CCC2(CC1)CCc1ccccc1O2

InChI Key: InChIKey=HAULFEWWRJNEKX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50108713   
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))
BDBM50108713
PNG
(1'-phenethylspiro[3,4-dihydro-2H-chromene-2,4'-(he...)
Show SMILES C(Cc1ccccc1)N1CCC2(CC1)CCc1ccccc1O2
Show InChI InChI=1S/C21H25NO/c1-2-6-18(7-3-1)11-15-22-16-13-21(14-17-22)12-10-19-8-4-5-9-20(19)23-21/h1-9H,10-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.60n/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))
BDBM50108713
PNG
(1'-phenethylspiro[3,4-dihydro-2H-chromene-2,4'-(he...)
Show SMILES C(Cc1ccccc1)N1CCC2(CC1)CCc1ccccc1O2
Show InChI InChI=1S/C21H25NO/c1-2-6-18(7-3-1)11-15-22-16-13-21(14-17-22)12-10-19-8-4-5-9-20(19)23-21/h1-9H,10-17H2
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50108713
PNG
(1'-phenethylspiro[3,4-dihydro-2H-chromene-2,4'-(he...)
Show SMILES C(Cc1ccccc1)N1CCC2(CC1)CCc1ccccc1O2
Show InChI InChI=1S/C21H25NO/c1-2-6-18(7-3-1)11-15-22-16-13-21(14-17-22)12-10-19-8-4-5-9-20(19)23-21/h1-9H,10-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
530n/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