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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50034332   
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))
BDBM50360708
PNG
(CHEMBL1934127)
Show SMILES CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4[nH]c5ccc(Cl)cc5c4c3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C28H28ClN3O/c1-18(33)30-27-16-28(24-5-3-2-4-21(24)27)10-12-32(13-11-28)17-19-6-8-25-22(14-19)23-15-20(29)7-9-26(23)31-25/h2-9,14-15,27,31H,10-13,16-17H2,1H3,(H,30,33)/t27-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


Bioorg Med Chem Lett 22: 363-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.125
BindingDB Entry DOI: 10.7270/Q2VD6ZW1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50360683
PNG
(CHEMBL1934130)
Show SMILES CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N4O2/c1-19(34)31-25-17-29(24-8-4-2-7-22(24)25)12-14-32(15-13-29)18-20-10-11-27-23(16-20)21-6-3-5-9-26(21)33(27)28(30)35/h2-11,16,25H,12-15,17-18H2,1H3,(H2,30,35)(H,31,34)/t25-/m1/s1
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UniChem

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


Bioorg Med Chem Lett 22: 363-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.125
BindingDB Entry DOI: 10.7270/Q2VD6ZW1
More data for this
Ligand-Target Pair