BDBM50595579 CHEMBL5203469

SMILES CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=MUHXGASCCALSAJ-PRIMNGNOSA-N

Data  7 KI  4 Kd  4 EC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50595579   

TargetAdenosine receptor A3(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKi:  16nMAssay Description:Binding affinity to adenosine A3 receptor (unknown origin) by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKi:  18nMAssay Description:Displacement of [3H] ZM241385 from wild type human A2AAR expressed in CHO cells assessed as inhibition constant incubated for 60 mins by Cheng-Prusof...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKi:  19nMAssay Description:Displacement of [3H] ZM241385 from human A2AAR H278A mutant expressed in CHO cells assessed as inhibition constant incubated for 60 mins by Cheng-Pru...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKi:  22nMAssay Description:Displacement of [3H] ZM241385 from human A2AAR S227A mutant expressed in CHO cells assessed as inhibition constant incubated for 60 mins by Cheng-Pru...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKi:  56nMAssay Description:Displacement of [3H] ZM241385 from human A2AAR S277A/H278A double mutant expressed in CHO cells assessed as inhibition constant incubated for 60 mins...More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKi:  392nMAssay Description:Binding affinity to adenosine A1 receptor (unknown origin) by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKi:  834nMAssay Description:Displacement of [3H]MRS1754 from A2BAR (unknown origin) expressed in HEK293 cells assessed as inhibition constant by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataEC50:  8.39E+3nMAssay Description:Antagonist activity at human A2AAR S277A/H278A double mutant expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation prei...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKd:  2.90nMAssay Description:Displacement of [3H] ZM241385 from human A2AAR H278A mutant expressed in CHO cells assessed as dissociation constant incubated for 60 mins by radioli...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKd:  2nMAssay Description:Displacement of [3H] ZM241385 from wild type human A2AAR expressed in CHO cells assessed as dissociation constant incubated for 60 mins by radioligan...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKd:  1.80nMAssay Description:Displacement of [3H] ZM241385 from human A2AAR S227A mutant expressed in CHO cells assessed as dissociation constant incubated for 60 mins by radioli...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataEC50:  0.900nMAssay Description:Antagonist activity at wild type human A2AAR expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation preincubated for 20 ...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataEC50:  94nMAssay Description:Antagonist activity at human A2AAR S227A mutant expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation preincubated for ...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataEC50:  109nMAssay Description:Antagonist activity at human A2AAR H278A mutant A2AAR expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation preincubate...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM50595579(CHEMBL5203469)
Affinity DataKd:  2.70nMAssay Description:Displacement of [3H] ZM241385 from human A2AAR S277A/H278A double mutant expressed in CHO cells assessed as dissociation constant incubated for 60 mi...More data for this Ligand-Target Pair