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BDBM50056443 (R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-ij]quinolin-2-one::CHEMBL419792::PNU-95666E

SMILES: CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23

InChI Key: InChIKey=RKZSNTNMEFVBDT-MRVPVSSYSA-N

Data: 9 KI  12 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50056443   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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PubMed
9n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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17n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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46n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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73n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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546n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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573n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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PubMed
2.33E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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6.33E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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1.63E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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PubMed
n/an/an/an/a 75n/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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n/an/an/an/a 501n/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Agonist activity at renilla luciferase-tagged human dopamine D2 receptor expressed in HEK293 cells coexpressing mVenus-fused beta-arrestin 2 assessed...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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n/an/an/an/a 543n/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (short) stably expressed in CHO cells by [3H]spiperone displacement.


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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PubMed
n/an/an/an/a 10.8n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D2 using FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D2 using FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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PubMed
n/an/an/an/a 165n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration tested on HEK293 cells co-transfected with human Dopamine receptor D2 using FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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n/an/an/an/a 4.60n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human D2 receptor expressing in CHO cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]th...


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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PubMed
n/an/an/an/a 32n/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in HEK293 cells assessed as cAMP inhibition by BRET assay


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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n/an/an/an/a 65n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human D2 receptor expressing in CHOp cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]t...


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor transfected in HEK293T cells by BRET based G0 activation assay


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor transfected in HEK293T cells by BRET based G0 activation assay


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 669n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human D3 receptor expressing in CHOp cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]t...


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair