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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 = 'BDBM50295862'   
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))
BDBM50295862
PNG
(CHEMBL564909 | N-Ethyl-2-phenylnorapomorphine hydr...)
Show SMILES CCN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccccc1 |r|
Show InChI InChI=1S/C24H23NO2/c1-2-25-11-10-17-12-18(15-6-4-3-5-7-15)13-19-22(17)20(25)14-16-8-9-21(26)24(27)23(16)19/h3-9,12-13,20,26-27H,2,10-11,14H2,1H3/t20-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/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))
BDBM50295862
PNG
(CHEMBL564909 | N-Ethyl-2-phenylnorapomorphine hydr...)
Show SMILES CCN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccccc1 |r|
Show InChI InChI=1S/C24H23NO2/c1-2-25-11-10-17-12-18(15-6-4-3-5-7-15)13-19-22(17)20(25)14-16-8-9-21(26)24(27)23(16)19/h3-9,12-13,20,26-27H,2,10-11,14H2,1H3/t20-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 51n/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