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Compile Data Set for Download or QSAR

Found 7 hits of ki for monomerid = 50027074   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50027074
PNG
(CHEMBL3335537)
Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1
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Article
PubMed
70n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50027074
PNG
(CHEMBL3335537)
Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1
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Article
PubMed
1.57E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50027074
PNG
(CHEMBL3335537)
Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1
PDB

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antibodypedia
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CHEMBL
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Article
PubMed
1.57E+4n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027074
PNG
(CHEMBL3335537)
Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50027074
PNG
(CHEMBL3335537)
Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1
PDB

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D1 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027074
PNG
(CHEMBL3335537)
Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1
PDB

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50027074
PNG
(CHEMBL3335537)
Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D1 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair