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BDBM50213846 CHEMBL20251

SMILES: COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1

InChI Key: InChIKey=BXDBIOHPDJQSGV-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 = 50213846   
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 receptor


(Homo sapiens (Human))
BDBM50213846
PNG
(CHEMBL20251)
Show SMILES COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H32ClN3O2/c1-20(2,3)19(25)22-9-5-6-10-23-11-13-24(14-12-23)17-8-7-16(21)15-18(17)26-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,22,25)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
16n/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))
BDBM50213846
PNG
(CHEMBL20251)
Show SMILES COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H32ClN3O2/c1-20(2,3)19(25)22-9-5-6-10-23-11-13-24(14-12-23)17-8-7-16(21)15-18(17)26-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
158n/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