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BDBM50373714 CHEMBL270406

SMILES: COc1cc(CN2CCN(CC2)c2ccccc2OC)c(OCCF)cc1OC

InChI Key: InChIKey=KPFBQVMYZMGXQK-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 = 50373714   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50373714
PNG
(CHEMBL270406)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)c(OCCF)cc1OC
Show InChI InChI=1S/C22H29FN2O4/c1-26-19-7-5-4-6-18(19)25-11-9-24(10-12-25)16-17-14-21(27-2)22(28-3)15-20(17)29-13-8-23/h4-7,14-15H,8-13,16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
94n/an/an/an/an/an/an/an/a



Clinic of Nuclear Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 long receptor


Bioorg Med Chem Lett 18: 983-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.026
BindingDB Entry DOI: 10.7270/Q2B56KMT
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50373714
PNG
(CHEMBL270406)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)c(OCCF)cc1OC
Show InChI InChI=1S/C22H29FN2O4/c1-26-19-7-5-4-6-18(19)25-11-9-24(10-12-25)16-17-14-21(27-2)22(28-3)15-20(17)29-13-8-23/h4-7,14-15H,8-13,16H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
280n/an/an/an/an/an/an/an/a



Clinic of Nuclear Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from pig cortical membrane 5HT2 receptor


Bioorg Med Chem Lett 18: 983-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.026
BindingDB Entry DOI: 10.7270/Q2B56KMT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50373714
PNG
(CHEMBL270406)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)c(OCCF)cc1OC
Show InChI InChI=1S/C22H29FN2O4/c1-26-19-7-5-4-6-18(19)25-11-9-24(10-12-25)16-17-14-21(27-2)22(28-3)15-20(17)29-13-8-23/h4-7,14-15H,8-13,16H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
330n/an/an/an/an/an/an/an/a



Clinic of Nuclear Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human D3 receptor


Bioorg Med Chem Lett 18: 983-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.026
BindingDB Entry DOI: 10.7270/Q2B56KMT
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50373714
PNG
(CHEMBL270406)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)c(OCCF)cc1OC
Show InChI InChI=1S/C22H29FN2O4/c1-26-19-7-5-4-6-18(19)25-11-9-24(10-12-25)16-17-14-21(27-2)22(28-3)15-20(17)29-13-8-23/h4-7,14-15H,8-13,16H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Clinic of Nuclear Medicine

Curated by ChEMBL


Assay Description
Binding affinity to pig cortical membrane dopamine D1 receptor


Bioorg Med Chem Lett 18: 983-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.026
BindingDB Entry DOI: 10.7270/Q2B56KMT
More data for this
Ligand-Target Pair