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BDBM50369664 CHEMBL1202206

SMILES: COc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=NMCWBWWFIBBNDM-VQIMIIECSA-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 = 50369664   
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))
BDBM50369664
PNG
(CHEMBL1202206)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H24Cl2N2O/c1-26-18-5-2-15(3-6-18)19-12-16(19)14-24-8-10-25(11-9-24)21-7-4-17(22)13-20(21)23/h2-7,13,16,19H,8-12,14H2,1H3/t16-,19-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 45n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369664
PNG
(CHEMBL1202206)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H24Cl2N2O/c1-26-18-5-2-15(3-6-18)19-12-16(19)14-24-8-10-25(11-9-24)21-7-4-17(22)13-20(21)23/h2-7,13,16,19H,8-12,14H2,1H3/t16-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/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