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BDBM50218596 CHEMBL327005

SMILES: C(Oc1ccccc1-c1ccno1)C1=NCCN1

InChI Key: InChIKey=QUOSOWBVNOKBLO-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 = 50218596   
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)
BDBM50218596
PNG
(CHEMBL327005)
Show SMILES C(Oc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H13N3O2/c1-2-4-11(17-9-13-14-7-8-15-13)10(3-1)12-5-6-16-18-12/h1-6H,7-9H2,(H,14,15)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human Alpha-1D adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50218596
PNG
(CHEMBL327005)
Show SMILES C(Oc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H13N3O2/c1-2-4-11(17-9-13-14-7-8-15-13)10(3-1)12-5-6-16-18-12/h1-6H,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50218596
PNG
(CHEMBL327005)
Show SMILES C(Oc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H13N3O2/c1-2-4-11(17-9-13-14-7-8-15-13)10(3-1)12-5-6-16-18-12/h1-6H,7-9H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair