BDBM50531422 CHEMBL4522981

SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O

InChI Key InChIKey=NTYVAKNEYLJAPT-UHFFFAOYSA-N

Data  3 KI  17 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50531422   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  66nMAssay Description:Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  820nMAssay Description:Antagonist activity at recombinant human A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Mus musculus)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >6.70E+3nMAssay Description:Antagonist activity at recombinant mouse A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Mus musculus)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  470nMAssay Description:Antagonist activity at recombinant mouse A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition measured after 10...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >6.70E+3nMAssay Description:Antagonist activity at recombinant human A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Mus musculus)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >6.70E+3nMAssay Description:Antagonist activity at recombinant mouse A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  750nMAssay Description:Antagonist activity at recombinant rat A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Mus musculus)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  400nMAssay Description:Antagonist activity at recombinant mouse A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Rattus norvegicus)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  280nMAssay Description:Antagonist activity at recombinant rat A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  66nMAssay Description:Antagonist activity at human adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  59nMAssay Description:Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531422(CHEMBL4522981)
Affinity DataIC50:  1.30E+3nMAssay Description:Antagonist activity at recombinant human A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed