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BDBM50222907 CHEMBL17856

SMILES: Cn1ccc(n1)-c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=QBZZRVBTXBSWLN-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50222907   
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
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222907
PNG
(CHEMBL17856)
Show SMILES Cn1ccc(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-6-13(18-19)11-4-2-3-5-12(11)17-10-14-15-7-8-16-14/h2-6,9,17H,7-8,10H2,1H3,(H,15,16)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222907
PNG
(CHEMBL17856)
Show SMILES Cn1ccc(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-6-13(18-19)11-4-2-3-5-12(11)17-10-14-15-7-8-16-14/h2-6,9,17H,7-8,10H2,1H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222907
PNG
(CHEMBL17856)
Show SMILES Cn1ccc(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-6-13(18-19)11-4-2-3-5-12(11)17-10-14-15-7-8-16-14/h2-6,9,17H,7-8,10H2,1H3,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair