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BDBM50222934 CHEMBL17492

SMILES: Cn1cccc1-c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=XSSNKDIFQCVNLK-UHFFFAOYSA-N

Data: 3 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50222934   
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)


(Homo sapiens (Human))
BDBM50222934
PNG
(CHEMBL17492)
Show SMILES Cn1cccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H18N4/c1-19-10-4-7-14(19)12-5-2-3-6-13(12)18-11-15-16-8-9-17-15/h2-7,10,18H,8-9,11H2,1H3,(H,16,17)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 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))
BDBM50222934
PNG
(CHEMBL17492)
Show SMILES Cn1cccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H18N4/c1-19-10-4-7-14(19)12-5-2-3-6-13(12)18-11-15-16-8-9-17-15/h2-7,10,18H,8-9,11H2,1H3,(H,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<1.00E+5n/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)
BDBM50222934
PNG
(CHEMBL17492)
Show SMILES Cn1cccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H18N4/c1-19-10-4-7-14(19)12-5-2-3-6-13(12)18-11-15-16-8-9-17-15/h2-7,10,18H,8-9,11H2,1H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 251n/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