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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50011294   

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 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