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1 similar compounds to monomer 50203486

Compile data set for download or QSAR
Wt: 448.5
BDBM50203484

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50203484   
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))
BDBM50203484
PNG
(6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-23-8-4-3-7-22(23)29-16-14-28(15-17-29)19-9-11-20(12-10-19)30-25(31)21-6-5-13-27-24(21)26(30)32/h3-8,13,18-20H,9-12,14-17H2,1-2H3
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Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.111
BindingDB Entry DOI: 10.7270/Q2PG1RC2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50203484
PNG
(6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-23-8-4-3-7-22(23)29-16-14-28(15-17-29)19-9-11-20(12-10-19)30-25(31)21-6-5-13-27-24(21)26(30)32/h3-8,13,18-20H,9-12,14-17H2,1-2H3
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.111
BindingDB Entry DOI: 10.7270/Q2PG1RC2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50203484
PNG
(6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-23-8-4-3-7-22(23)29-16-14-28(15-17-29)19-9-11-20(12-10-19)30-25(31)21-6-5-13-27-24(21)26(30)32/h3-8,13,18-20H,9-12,14-17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
44.6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.111
BindingDB Entry DOI: 10.7270/Q2PG1RC2
More data for this
Ligand-Target Pair