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BDBM50108709 1'-(2,4-difluorophenethyl)-6-fluorospiro[2H-chromene-2,4'-(hexahydropyridine)]::CHEMBL359270

SMILES: Fc1ccc(CCN2CCC3(CC2)Oc2ccc(F)cc2C=C3)c(F)c1

InChI Key: InChIKey=HTKIFNUUHOERMF-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50108709   
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))
BDBM50108709
PNG
(1'-(2,4-difluorophenethyl)-6-fluorospiro[2H-chrome...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)Oc2ccc(F)cc2C=C3)c(F)c1 |c:23|
Show InChI InChI=1S/C21H20F3NO/c22-17-3-4-20-16(13-17)5-7-21(26-20)8-11-25(12-9-21)10-6-15-1-2-18(23)14-19(15)24/h1-5,7,13-14H,6,8-12H2
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))
BDBM50108709
PNG
(1'-(2,4-difluorophenethyl)-6-fluorospiro[2H-chrome...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)Oc2ccc(F)cc2C=C3)c(F)c1 |c:23|
Show InChI InChI=1S/C21H20F3NO/c22-17-3-4-20-16(13-17)5-7-21(26-20)8-11-25(12-9-21)10-6-15-1-2-18(23)14-19(15)24/h1-5,7,13-14H,6,8-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
650n/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