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BDBM50213028 CHEMBL74283

SMILES: Brc1c(NC2=NCCN2)ccc2NCCNc12

InChI Key: InChIKey=CETMNKCDAHCKRC-UHFFFAOYSA-N

Data: 7 KI  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50213028   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

6.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-2A adrenergic receptor from cultured LM(tk-) cells using [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

49n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-2B adrenergic receptor from cultured Y-1 cells using [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

214n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-2C adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

1.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in human brain


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

1.12E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-1A adrenergic receptor from cultured LM(tk-) cells using [3H]-prazosin


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

2.69E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-1D adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/an/an/a 105n/an/an/an/a


TBA

Assay Description
Alpha-2C adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/an/an/a 2.80n/an/an/an/a


TBA

Assay Description
Alpha-2A adrenergic receptor agonistic potency as inhibition of forskolin-stimulated synthesis of cyclic adenosine monophosphate


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/an/an/a 891n/an/an/an/a


TBA

Assay Description
Alpha-2B adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis


Citation and Details
More data for this
Ligand-Target Pair