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BDBM50416773 CHEMBL1242352

SMILES: COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1

InChI Key: InChIKey=XRKSDOUDYWUZPR-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50416773   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
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KEGG

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PC sid
UniChem
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PubMed
0.263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
Reactome pathway
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antibodypedia
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CHEMBL
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PC sid
UniChem
Article
PubMed
0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant Alpha-1B adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
UniProtKB/SwissProt

antibodypedia
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UniChem
Article
PubMed
15.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair