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BDBM50343799 CHEMBL1774542::N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-fluorobutyl)-2-naphthamide

SMILES: FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl

InChI Key: InChIKey=CNIUTIHLBNEOKA-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50343799   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343799
PNG
(CHEMBL1774542 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H26Cl2FN3O/c26-22-6-3-7-23(24(22)27)31-14-12-30(13-15-31)17-21(28)10-11-29-25(32)20-9-8-18-4-1-2-5-19(18)16-20/h1-9,16,21H,10-15,17H2,(H,29,32)
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Article
PubMed
6.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343799
PNG
(CHEMBL1774542 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H26Cl2FN3O/c26-22-6-3-7-23(24(22)27)31-14-12-30(13-15-31)17-21(28)10-11-29-25(32)20-9-8-18-4-1-2-5-19(18)16-20/h1-9,16,21H,10-15,17H2,(H,29,32)
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Article
PubMed
195n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50343799
PNG
(CHEMBL1774542 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H26Cl2FN3O/c26-22-6-3-7-23(24(22)27)31-14-12-30(13-15-31)17-21(28)10-11-29-25(32)20-9-8-18-4-1-2-5-19(18)16-20/h1-9,16,21H,10-15,17H2,(H,29,32)
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PubMed
1.91E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343799
PNG
(CHEMBL1774542 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H26Cl2FN3O/c26-22-6-3-7-23(24(22)27)31-14-12-30(13-15-31)17-21(28)10-11-29-25(32)20-9-8-18-4-1-2-5-19(18)16-20/h1-9,16,21H,10-15,17H2,(H,29,32)
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antibodypedia
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Article
PubMed
n/an/a 255n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinopirole-induced mitogenisis


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair