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BDBM50421597 CHEMBL155327

SMILES: C(Nc1ccccc1-c1ccno1)C1=NCCN1

InChI Key: InChIKey=LQBHYWDFUZWZET-UHFFFAOYSA-N

Data: 3 IC50  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 6 hits for monomerid = 50421597   
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))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.794n/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
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.70n/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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells


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 alpha1B


(Homo sapiens (Human))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 132n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


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-1D adrenergic receptor


(HUMAN)
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1D adrenergic receptor expressed in rat-1 fibroblasts


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)
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.90n/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