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BDBM50380579 CHEMBL2016608

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)CCCCCCC(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12

InChI Key: InChIKey=LEQPLCJILZPZJF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50380579   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50380579
PNG
(CHEMBL2016608)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)CCCCCCC(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C44H48Cl2N8O2/c1-49-21-25-51(26-22-49)43-33-11-7-9-13-37(33)53(39-19-17-31(45)29-35(39)47-43)41(55)15-5-3-4-6-16-42(56)54-38-14-10-8-12-34(38)44(52-27-23-50(2)24-28-52)48-36-30-32(46)18-20-40(36)54/h7-14,17-20,29-30H,3-6,15-16,21-28H2,1-2H3
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...


J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50380579
PNG
(CHEMBL2016608)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)CCCCCCC(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C44H48Cl2N8O2/c1-49-21-25-51(26-22-49)43-33-11-7-9-13-37(33)53(39-19-17-31(45)29-35(39)47-43)41(55)15-5-3-4-6-16-42(56)54-38-14-10-8-12-34(38)44(52-27-23-50(2)24-28-52)48-36-30-32(46)18-20-40(36)54/h7-14,17-20,29-30H,3-6,15-16,21-28H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.66E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...


J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair