BDBM50336715 4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiazol-2-yl-benzamide::CHEMBL1671936

SMILES CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc1nccs1

InChI Key InChIKey=KEUJAGGJGBWRFC-UHFFFAOYSA-N

Data  4 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50336715   

TargetAdenosine receptor A2a(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataKi:  5.90nMAssay Description:Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation countingMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataKi:  260nMAssay Description:Displacement of [3H]-MRS1754 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataKi:  410nMAssay Description:Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 30 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO-K1 cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant CYP2C9 after 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant CYP2C19 after 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant CYP2D6 after 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50336715(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant CYP1A2 after 28 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed