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BDBM50392123 CHEMBL2152634

SMILES: CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1

InChI Key: InChIKey=YQJXEYCSOAXZLM-HXUWFJFHSA-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 = 50392123   
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


(Rattus norvegicus (Rat))
BDBM50392123
PNG
(CHEMBL2152634)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50392123
PNG
(CHEMBL2152634)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m1/s1
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
134n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 55: 5826-40 (2012)


Article DOI: 10.1021/jm300268s
BindingDB Entry DOI: 10.7270/Q2NC629F
More data for this
Ligand-Target Pair