BDBM50011294 A2A::Ro-4494351::Ro-4494351-002::Ro-4494351000::SYN-115::TOZADENANT

SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12

InChI Key InChIKey=XNBRWUQWSKXMPW-UHFFFAOYSA-N

Data  21 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50011294   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  0.300nMAssay Description:Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  3.40nMAssay Description:Binding affinity to human adenosine A2A receptor measured by radioligand-based affinity assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  3.90nMAssay Description:Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO-K1 cells incubated for 70 mins by liquid scintillation counting me...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  5nMAssay Description:Antagonist activity at adenosine A2A receptor (unknown origin)More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  5nMAssay Description:Antagonist activity at human adenosine 2A receptor (409 to 412 residues) expressed in CHO cells using Ysi-poly-1-lysine as substrate incubated for 1 ...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  5nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  8.30nMAssay Description:Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  11nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membranes measured after 90 minsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
University Of Cologne

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-ZM241385 from A2A receptor in rat brain corpora striata incubated for 70 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  700nMAssay Description:Inhibition of human recombinant adenosine receptor A2bMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  700nMAssay Description:Inhibition of human adenosine 2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  1.35E+3nMAssay Description:Inhibition of human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  1.35E+3nMAssay Description:Inhibition of human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  1.57E+3nMAssay Description:Inhibition of human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  1.70E+3nMAssay Description:Antagonist activity at human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  1.70E+3nMAssay Description:Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes measured after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  2.24E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  3.38E+3nMAssay Description:Displacement of [3H]-DPCPX from recombinant human A1 receptor expressed in CHO-K1 cells incubated for 70 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  5.00E+3nMAssay Description:Displacement of [3H]-HEMADO from human adenosine A3 receptor expressed in HEK293 cell membranes measured after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011294(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Affinity DataKi:  5.00E+3nMAssay Description:Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes measured after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed