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BDBM50219164 CHEMBL156893

SMILES: Nc1nccc(n1)-c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=OAHLECZZVVVHND-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 = 50219164   
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))
BDBM50219164
PNG
(CHEMBL156893)
Show SMILES Nc1nccc(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H16N6/c15-14-18-6-5-12(20-14)10-3-1-2-4-11(10)19-9-13-16-7-8-17-13/h1-6,19H,7-9H2,(H,16,17)(H2,15,18,20)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 43n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50219164
PNG
(CHEMBL156893)
Show SMILES Nc1nccc(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H16N6/c15-14-18-6-5-12(20-14)10-3-1-2-4-11(10)19-9-13-16-7-8-17-13/h1-6,19H,7-9H2,(H,16,17)(H2,15,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 29n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human alpha-1D receptor expressed in rat-1 fibroblasts via calcium using mobilization through the Gq coupled PLC pathway as fu...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219164
PNG
(CHEMBL156893)
Show SMILES Nc1nccc(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H16N6/c15-14-18-6-5-12(20-14)10-3-1-2-4-11(10)19-9-13-16-7-8-17-13/h1-6,19H,7-9H2,(H,16,17)(H2,15,18,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair