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BDBM50421601 CHEMBL154298

SMILES: C(Nc1ccccc1-c1ccccn1)C1=NCCN1

InChI Key: InChIKey=GXGVZZFPDOETFM-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 = 50421601   
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))
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
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UniChem
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PubMed
n/an/an/an/a 6.80n/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))
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 30n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 589n/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)
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/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
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 42n/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