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BDBM50000195 CHEMBL142784

SMILES: C(Oc1ccccc1-c1ccoc1)C1=NCCN1

InChI Key: InChIKey=JJNCVWTXKJXARP-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 = 50000195   
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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50000195
PNG
(CHEMBL142784)
Show SMILES C(Oc1ccccc1-c1ccoc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)11-5-8-17-9-11/h1-5,8-9H,6-7,10H2,(H,15,16)
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

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


(Homo sapiens (Human))
BDBM50000195
PNG
(CHEMBL142784)
Show SMILES C(Oc1ccccc1-c1ccoc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)11-5-8-17-9-11/h1-5,8-9H,6-7,10H2,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000195
PNG
(CHEMBL142784)
Show SMILES C(Oc1ccccc1-c1ccoc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)11-5-8-17-9-11/h1-5,8-9H,6-7,10H2,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 0.5n/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