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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50063282'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063282
PNG
(CHEMBL2110308 | {4-[2-(4-Phenyl-piperazin-1-yl)-et...)
Show SMILES C1CC(CCC1Nc1ncccn1)N1CCN(CC1)c1ccccc1 |(8.5,-10.43,;10.04,-10.36,;10.74,-8.99,;9.9,-7.69,;8.36,-7.77,;7.66,-9.13,;6.12,-9.2,;5.28,-7.92,;3.77,-7.99,;2.93,-6.71,;3.63,-5.33,;5.17,-5.26,;6.01,-6.54,;12.28,-8.9,;13.12,-10.21,;14.66,-10.13,;15.34,-8.75,;14.5,-7.45,;12.98,-7.54,;16.88,-8.67,;17.72,-9.95,;19.24,-9.86,;19.94,-8.5,;19.09,-7.21,;17.56,-7.31,)|
Show InChI InChI=1S/C20H27N5/c1-2-5-18(6-3-1)24-13-15-25(16-14-24)19-9-7-17(8-10-19)23-20-21-11-4-12-22-20/h1-6,11-12,17,19H,7-10,13-16H2,(H,21,22,23)
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Article
PubMed
160n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50063282
PNG
(CHEMBL2110308 | {4-[2-(4-Phenyl-piperazin-1-yl)-et...)
Show SMILES C1CC(CCC1Nc1ncccn1)N1CCN(CC1)c1ccccc1 |(8.5,-10.43,;10.04,-10.36,;10.74,-8.99,;9.9,-7.69,;8.36,-7.77,;7.66,-9.13,;6.12,-9.2,;5.28,-7.92,;3.77,-7.99,;2.93,-6.71,;3.63,-5.33,;5.17,-5.26,;6.01,-6.54,;12.28,-8.9,;13.12,-10.21,;14.66,-10.13,;15.34,-8.75,;14.5,-7.45,;12.98,-7.54,;16.88,-8.67,;17.72,-9.95,;19.24,-9.86,;19.94,-8.5,;19.09,-7.21,;17.56,-7.31,)|
Show InChI InChI=1S/C20H27N5/c1-2-5-18(6-3-1)24-13-15-25(16-14-24)19-9-7-17(8-10-19)23-20-21-11-4-12-22-20/h1-6,11-12,17,19H,7-10,13-16H2,(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
320n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair