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BDBM50380570 CHEMBL2016619

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)CCCCCCCCCCCCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12

InChI Key: InChIKey=ACYRRFBCTGQMNI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50380570   
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))
BDBM50380570
PNG
(CHEMBL2016619)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)CCCCCCCCCCCCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C50H62Cl2N10O2/c1-57-27-31-59(32-28-57)49-39-17-13-15-19-43(39)61(45-25-23-37(51)35-41(45)53-49)55-47(63)21-11-9-7-5-3-4-6-8-10-12-22-48(64)56-62-44-20-16-14-18-40(44)50(60-33-29-58(2)30-34-60)54-42-36-38(52)24-26-46(42)62/h13-20,23-26,35-36H,3-12,21-22,27-34H2,1-2H3,(H,55,63)(H,56,64)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/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))
BDBM50380570
PNG
(CHEMBL2016619)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)CCCCCCCCCCCCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C50H62Cl2N10O2/c1-57-27-31-59(32-28-57)49-39-17-13-15-19-43(39)61(45-25-23-37(51)35-41(45)53-49)55-47(63)21-11-9-7-5-3-4-6-8-10-12-22-48(64)56-62-44-20-16-14-18-40(44)50(60-33-29-58(2)30-34-60)54-42-36-38(52)24-26-46(42)62/h13-20,23-26,35-36H,3-12,21-22,27-34H2,1-2H3,(H,55,63)(H,56,64)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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