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BDBM50222905 CHEMBL18069

SMILES: Cn1ncnc1-c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=PQDQNUQTCBVXHM-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 = 50222905   
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


(Homo sapiens (Human))
BDBM50222905
PNG
(CHEMBL18069)
Show SMILES Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H16N6/c1-19-13(17-9-18-19)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,9,16H,6-8H2,1H3,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 40n/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
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222905
PNG
(CHEMBL18069)
Show SMILES Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H16N6/c1-19-13(17-9-18-19)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,9,16H,6-8H2,1H3,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 63n/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))
BDBM50222905
PNG
(CHEMBL18069)
Show SMILES Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H16N6/c1-19-13(17-9-18-19)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,9,16H,6-8H2,1H3,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2n/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