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BDBM50213866 CHEMBL20655

SMILES: CC1(CCCCC1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=BSOHQWLHOBZOOU-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 = 50213866   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213866
PNG
(CHEMBL20655)
Show SMILES CC1(CCCCC1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H30ClN3O/c1-20(9-3-2-4-10-20)19(25)22-11-12-23-13-15-24(16-14-23)18-7-5-17(21)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,22,25)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213866
PNG
(CHEMBL20655)
Show SMILES CC1(CCCCC1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H30ClN3O/c1-20(9-3-2-4-10-20)19(25)22-11-12-23-13-15-24(16-14-23)18-7-5-17(21)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair