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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM78434'   
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))
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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0.400n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Arzneimittelforschung 42: 224-30 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4VK6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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1.10n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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1.20n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)


BindingDB Entry DOI: 10.7270/Q2G15ZCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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7n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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KEGG
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Article
PubMed
7.14n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Ann N Y Acad Sci 537: 435-42 (1988)


Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH
More data for this
Ligand-Target Pair