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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 = 'BDBM50295866'   
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


(Rattus norvegicus (rat))
BDBM50295866
PNG
(CHEMBL560721 | N-Propyl-2-(4-hydroxyphenyl)-norapo...)
Show SMILES CCCN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C25H25NO3/c1-2-10-26-11-9-17-12-18(15-3-6-19(27)7-4-15)13-20-23(17)21(26)14-16-5-8-22(28)25(29)24(16)20/h3-8,12-13,21,27-29H,2,9-11,14H2,1H3/t21-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2short receptor expressed in CHO-K1 cells by liquid scintillation counting


Bioorg Med Chem 17: 4756-62 (2009)


Article DOI: 10.1016/j.bmc.2009.04.047
BindingDB Entry DOI: 10.7270/Q2KD1XZ4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50295866
PNG
(CHEMBL560721 | N-Propyl-2-(4-hydroxyphenyl)-norapo...)
Show SMILES CCCN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C25H25NO3/c1-2-10-26-11-9-17-12-18(15-3-6-19(27)7-4-15)13-20-23(17)21(26)14-16-5-8-22(28)25(29)24(16)20/h3-8,12-13,21,27-29H,2,9-11,14H2,1H3/t21-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Agonist activity at rat dopamine D2short receptor expressed in CHO-K1 cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation...


Bioorg Med Chem 17: 4756-62 (2009)


Article DOI: 10.1016/j.bmc.2009.04.047
BindingDB Entry DOI: 10.7270/Q2KD1XZ4
More data for this
Ligand-Target Pair