BindingDB logo
myBDB logout

BDBM50155516 3-(4-Chloro-phenyl)-8-(4-fluoro-benzyl)-8-aza-bicyclo[3.2.1]octan-3-ol; hydrochloride::CHEMBL537183

SMILES: OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=UTSVFENYHGEOSM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50155516   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50155516
PNG
(3-(4-Chloro-phenyl)-8-(4-fluoro-benzyl)-8-aza-bicy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.7.2:4.5,0:1:8:4.5|
Show InChI InChI=1S/C20H21ClFNO/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14/h1-8,18-19,24H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50155516
PNG
(3-(4-Chloro-phenyl)-8-(4-fluoro-benzyl)-8-aza-bicy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.7.2:4.5,0:1:8:4.5|
Show InChI InChI=1S/C20H21ClFNO/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14/h1-8,18-19,24H,9-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+3n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair