BDBM50057762 CHEMBL3323011::US9598387, Compound 113::US9969743, 113

SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1

InChI Key InChIKey=MGDSRFOVDPARJD-UHFFFAOYSA-N

Data  13 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50057762   

TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  4.20nMAssay Description:Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  4.20nMAssay Description:The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  4.20nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  8.40nMAssay Description:Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  12nMAssay Description:Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  13nMAssay Description:Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  20nMAssay Description:Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  40nMAssay Description:Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  148nMAssay Description:Displacement of [125I]IABN from chimeric human D2 receptor possessing extracellular loop II of D3 receptor expressed in HEK293 cell membranes by gamm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  511nMAssay Description:The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  511nMAssay Description:Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  511nMAssay Description:Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataKi:  702nMAssay Description:Displacement of [125I]IABN from wild type human D2R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataIC50:  1.30nMAssay Description:Antagonist activity against human D3R expressed in CHO cells assessed as inhibition of dopamine-induced [35S]GTPgammaS binding by dopamine potency sh...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataIC50:  111nMAssay Description:Antagonist activity against human D2LR expressed in CHO cells assessed as inhibition of dopamine-induced [35S]GTPgammaS binding by dopamine potency s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataIC50:  2.30E+3nMAssay Description:Antagonist activity against human D2R expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis after 24 hrs by [3H]thymidine u...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataIC50:  0.600nMAssay Description:Antagonist activity against D3R in human U2OS cells assessed as inhibition of (+)-PD128907-induced beta-arrestin translocation by beta-galactosidase ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataIC50:  261nMAssay Description:Antagonist activity against human D2LR expressed in CHOK1 cells assessed as inhibition of pergolide-induced beta-arrestin translocation by beta-galac...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

US Patent
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Affinity DataIC50:  157nMAssay Description:Antagonist activity against human D3R expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis after 24 hrs by [3H]thymidine u...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed