BDBM50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723

SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C

InChI Key InChIKey=KKDKAWKYGCUOGR-UHFFFAOYSA-N

Data  6 KI  3 Kd  6 EC50

  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 15 hits for monomerid = 50080550   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKi:  1.10E+4nMAssay Description:Displacement of [3H]DPCPX from adenosine A1 receptor in rat membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKi:  1.10E+4nMAssay Description:Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKi:  1.10E+4nMAssay Description:Displacement of [3H]DPCPX from A1 adenosine receptor in rat membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKi:  1.10E+4nMAssay Description:Displacement of [3H]-DPCPX from rat brain membrane adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKi:  1.10E+4nMAssay Description:Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKi:  1.10E+7nMAssay Description:Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataEC50:  1.74E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataEC50: >1.00E+4nMAssay Description:Antagonist activity against adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataEC50:  1.36E+4nMAssay Description:Allosteric modulatory activity at human adenosine A1 receptor expressed in CHOk1 cells assessed as drug level causing half maximal allosteric effect ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKd:  1.80nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKd:  1.10nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataEC50:  1.36E+4nMAssay Description:Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataKd:  0.75nMAssay Description:Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataEC50:  1.47E+4nMAssay Description:Enhanced 0.5 nM [3H]-CCPA dissociation from adenosine A1 receptor of rat brain cortex membranes compared to 100 uM CPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50080550((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Affinity DataEC50:  8.40E+3nMAssay Description:Effective dose as dissociation of [3H]-N6-cyclohexyladenosine ([3H]-CHA) from CHO-K1 membrane after treatment with allosteric enhancer and (R)-PIAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed