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BDBM50421592 CHEMBL420683

SMILES: C(Oc1ccccc1-c1ccccn1)C1=NCCN1

InChI Key: InChIKey=FVHLKYRSFYIRKU-UHFFFAOYSA-N

Data: 3 IC50  6 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 9 hits for monomerid = 50421592   
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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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n/an/an/an/a<1.00E+5n/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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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n/an/a 115n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 13n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.04E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1B adrenergic receptor expressed in rat fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
Reactome pathway
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Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1D adrenergic receptor expressed in rat-1 fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<1.00E+5n/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