BDBM34572 BRIMONIDINE::CHEMBL844::MLS000069370::SMR000058355::UK 14,304::cid_2435

SMILES Brc1c(NC2=NCCN2)ccc2nccnc12

InChI Key InChIKey=XYLJNLCSTIOKRM-UHFFFAOYSA-N

Data  18 KI  4 IC50  9 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 34572   

TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
University of Dublin

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  1.40nMAssay Description:Binding affinity to alpha2 adrenoceptor in human cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
University of Dublin

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  2.40nMAssay Description:Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparationMore data for this Ligand-Target Pair
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
University of Dublin

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  2.40nMAssay Description:Binding affinity towards Alpha-2 adrenergic receptor of HT-29 cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  2.70nMAssay Description:Displacement of rauwolscine from human Alpha-2A adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(OPOSSUM)
University of Missouri

Curated by PDSP Ki Database
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  22nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  30nMAssay Description:Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligandMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(MOUSE)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  43.6nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  44nMAssay Description:Displacement of rauwolscine from human Alpha-2C adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  52nMAssay Description:Displacement of rauwolscine from rat Alpha-2B adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  83nMAssay Description:Binding affinity for human Alpha-2C adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosinMore data for this Ligand-Target Pair
In DepthDetails
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  214nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(PIG)
University of Michigan

Curated by PDSP Ki Database
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  479nMMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  740nMAssay Description:Binding affinity against alpha-1 adrenergic receptor in rat using [3H]prazosin as radioligandMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  955nMMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))TBA
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity towards Alpha-1 adrenergic receptor of human brainMore data for this Ligand-Target Pair
In DepthDetails
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))TBA
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membraneMore data for this Ligand-Target Pair
In DepthDetails
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  1.95E+3nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))TBA
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataKi:  2.82E+3nMAssay Description:Binding affinity for human Alpha-1A adrenergic receptor from cultured LM(tk-) cells using [3H]-prazosinMore data for this Ligand-Target Pair
In DepthDetails
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
University of Dublin

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  1.14E+4nMAssay Description:Agonist activity at alpha2 adrenoceptor in human cortical membrane after 2 hrs by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
University of Dublin

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  1.14E+4nMAssay Description:Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
University of Dublin

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataIC50: 3nMAssay Description:Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranesMore data for this Ligand-Target Pair
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
University of Dublin

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  1nMAssay Description:Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferensMore data for this Ligand-Target Pair
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataIC50: 3.60nMAssay Description:Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain memb...More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  0.617nMAssay Description:Alpha-2A adrenergic receptor agonistic potency as inhibition of forskolin-stimulated synthesis of cyclic adenosine monophosphateMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataIC50: 2.40E+3nMAssay Description:Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membr...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  9.5nMAssay Description:Alpha-2C adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesisMore data for this Ligand-Target Pair
In DepthDetails
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  55nMAssay Description:Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  4.10nMAssay Description:Effective concentration at Alpha-2A adrenergic receptor from CHO-C10 cellsMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  3.40nMAssay Description:Effective concentration at Alpha-2C adrenergic receptor from CHO-C4 cellsMore data for this Ligand-Target Pair
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
TargetG protein-activated inward rectifier potassium channel 1(Rattus norvegicus)
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM34572(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Affinity DataEC50:  0.0372nMAssay Description:Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...More data for this Ligand-Target Pair