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BDBM50544078 CHEMBL4633950

SMILES: COc1cc2CCN(C)CC(c2cc1O)c1c(Cl)cccc1Cl

InChI Key: InChIKey=NMKSECCQSQUWGT-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 = 50544078   
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(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50544078
PNG
(CHEMBL4633950)
Show SMILES COc1cc2CCN(C)CC(c2cc1O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-7-6-11-8-17(23-2)16(22)9-12(11)13(10-21)18-14(19)4-3-5-15(18)20/h3-5,8-9,13,22H,6-7,10H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
49n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D5 receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50544078
PNG
(CHEMBL4633950)
Show SMILES COc1cc2CCN(C)CC(c2cc1O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-7-6-11-8-17(23-2)16(22)9-12(11)13(10-21)18-14(19)4-3-5-15(18)20/h3-5,8-9,13,22H,6-7,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
145n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair