BDBM50257054 8-Bromo-9-(3-hydroxypropyl)-9H-adenine::CHEMBL475455

SMILES c1nc(c2c(n1)n(c(n2)Br)CCCO)N

InChI Key InChIKey=MUZYIFHIQGFDMZ-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50257054   

TargetAdenosine receptor A2a(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  85nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  85nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  3.20E+3nMAssay Description:Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  3.20E+3nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  5.10E+3nMAssay Description:Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50257054(8-Bromo-9-(3-hydroxypropyl)-9H-adenine | CHEMBL475...)
Affinity DataKi:  5.10E+3nMAssay Description:Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed