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BDBM50000200 CHEMBL117914

SMILES: CCN(CC)C(=O)c1ccccc1OCC1=NCCN1

InChI Key: InChIKey=RQXPJRXQQKFJSK-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 = 50000200   
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))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
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n/an/an/an/a<5.01E+3n/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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
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Article
PubMed
n/an/an/an/a<5.01E+3n/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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
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n/an/an/an/a<5.01E+3n/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 adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
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PubMed
n/an/a<3.02E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1D-adrenoceptor 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))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<3.02E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1B-adrenoceptor 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))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

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-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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<3.02E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1A-adrenoceptor 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))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

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
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

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-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