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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 = 'BDBM50016017'   
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))
BDBM50016017
PNG
((5aR,9aR)-6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-py...)
Show SMILES CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
Show InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
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316n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 791-804 (2002)


Article DOI: 10.1124/jpet.102.039867
BindingDB Entry DOI: 10.7270/Q2MG7N2F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016017
PNG
((5aR,9aR)-6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-py...)
Show SMILES CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
Show InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
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341n/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))
BDBM50016017
PNG
((5aR,9aR)-6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-py...)
Show SMILES CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
Show InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
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PubMed
708n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 791-804 (2002)


Article DOI: 10.1124/jpet.102.039867
BindingDB Entry DOI: 10.7270/Q2MG7N2F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016017
PNG
((5aR,9aR)-6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-py...)
Show SMILES CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
Show InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant dopamine D2 receptor expressed in rat pituitary cells assessed as inhibition of forskolin-stimulated cAMP accum...


Bioorg Med Chem Lett 17: 6691-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016017
PNG
((5aR,9aR)-6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-py...)
Show SMILES CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
Show InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
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PubMed
n/an/an/an/a 45n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016017
PNG
((5aR,9aR)-6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-py...)
Show SMILES CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
Show InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
Reactome pathway
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PC sid
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Article
PubMed
n/an/an/an/a 45n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair