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BDBM50369667 CHEMBL1202202

SMILES: Oc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=IUVVVNCAVCDQQI-CRAIPNDOSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50369667   
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))
BDBM50369667
PNG
(CHEMBL1202202)
Show SMILES Oc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C20H22Cl2N2O/c21-16-3-6-20(19(22)12-16)24-9-7-23(8-10-24)13-15-11-18(15)14-1-4-17(25)5-2-14/h1-6,12,15,18,25H,7-11,13H2/t15-,18-/m1/s1
PDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 12n/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))
BDBM50369667
PNG
(CHEMBL1202202)
Show SMILES Oc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C20H22Cl2N2O/c21-16-3-6-20(19(22)12-16)24-9-7-23(8-10-24)13-15-11-18(15)14-1-4-17(25)5-2-14/h1-6,12,15,18,25H,7-11,13H2/t15-,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 43n/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