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SMILES: CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1

InChI Key: InChIKey=STMYXSKGGILJBE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50088706   
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))
BDBM50088706
PNG
(CHEMBL12062 | N-{3-[4-(2-Isopropoxy-phenyl)-pipera...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
Show InChI InChI=1S/C23H36N4O3/c1-19(2)30-21-9-4-3-8-20(21)26-16-14-25(15-17-26)12-7-11-24-22(28)18-27-13-6-5-10-23(27)29/h3-4,8-9,19H,5-7,10-18H2,1-2H3,(H,24,28)
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PubMed
80n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor expressed in COS cell membranes


Bioorg Med Chem Lett 10: 1093-6 (2000)


BindingDB Entry DOI: 10.7270/Q21N80CF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50088706
PNG
(CHEMBL12062 | N-{3-[4-(2-Isopropoxy-phenyl)-pipera...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
Show InChI InChI=1S/C23H36N4O3/c1-19(2)30-21-9-4-3-8-20(21)26-16-14-25(15-17-26)12-7-11-24-22(28)18-27-13-6-5-10-23(27)29/h3-4,8-9,19H,5-7,10-18H2,1-2H3,(H,24,28)
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Article
PubMed
0.650n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active


Bioorg Med Chem Lett 15: 657-64 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.032
BindingDB Entry DOI: 10.7270/Q2SN08GW
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50088706
PNG
(CHEMBL12062 | N-{3-[4-(2-Isopropoxy-phenyl)-pipera...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
Show InChI InChI=1S/C23H36N4O3/c1-19(2)30-21-9-4-3-8-20(21)26-16-14-25(15-17-26)12-7-11-24-22(28)18-27-13-6-5-10-23(27)29/h3-4,8-9,19H,5-7,10-18H2,1-2H3,(H,24,28)
UniProtKB/SwissProt

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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor expressed in COS cell membranes


Bioorg Med Chem Lett 10: 1093-6 (2000)


BindingDB Entry DOI: 10.7270/Q21N80CF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50088706
PNG
(CHEMBL12062 | N-{3-[4-(2-Isopropoxy-phenyl)-pipera...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
Show InChI InChI=1S/C23H36N4O3/c1-19(2)30-21-9-4-3-8-20(21)26-16-14-25(15-17-26)12-7-11-24-22(28)18-27-13-6-5-10-23(27)29/h3-4,8-9,19H,5-7,10-18H2,1-2H3,(H,24,28)
PDB

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antibodypedia
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PC sid
UniChem

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PubMed
0.660n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor expressed in COS cell membranes


Bioorg Med Chem Lett 10: 1093-6 (2000)


BindingDB Entry DOI: 10.7270/Q21N80CF
More data for this
Ligand-Target Pair