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BDBM50369660 CHEMBL1202222

SMILES: Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=LTGMYNFRQZVMJT-OXQOHEQNSA-N

Data: 2 IC50

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 = 50369660   
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))
BDBM50369660
PNG
(CHEMBL1202222)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H22ClFN2/c21-17-3-7-19(8-4-17)24-11-9-23(10-12-24)14-16-13-20(16)15-1-5-18(22)6-2-15/h1-8,16,20H,9-14H2/t16-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 202n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369660
PNG
(CHEMBL1202222)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H22ClFN2/c21-17-3-7-19(8-4-17)24-11-9-23(10-12-24)14-16-13-20(16)15-1-5-18(22)6-2-15/h1-8,16,20H,9-14H2/t16-,20-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair