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BDBM50129435 CHEMBL71783::N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-ynyl}-benzamide

SMILES: Clc1cccc(N2CCN(CC#CCNC(=O)c3ccccc3)CC2)c1Cl

InChI Key: InChIKey=NZDBRYJVPWCALT-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 = 50129435   
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


(Rattus norvegicus (Rat))
BDBM50129435
PNG
(CHEMBL71783 | N-{4-[4-(2,3-Dichloro-phenyl)-pipera...)
Show SMILES Clc1cccc(N2CCN(CC#CCNC(=O)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C21H21Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-3,6-10H,11-16H2,(H,24,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
394n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50129435
PNG
(CHEMBL71783 | N-{4-[4-(2,3-Dichloro-phenyl)-pipera...)
Show SMILES Clc1cccc(N2CCN(CC#CCNC(=O)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C21H21Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-3,6-10H,11-16H2,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D2 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair