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Target
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Compile Data Set for Download or QSAR
Found
3
hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM22871'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Alpha-1A adrenergic receptor
(Homo sapiens (Human))
BDBM22871
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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Purchase
CHEMBL
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MCE
KEGG
PC cid
PC sid
UniChem
Patents
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DrugBank
Article
PubMed
27.8
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Mayo Clinic and Foundation
Curated by
PDSP K
i
Database
Ann N Y Acad Sci
537:
435
-
42
(1988)
Article DOI:
10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI:
10.7270/Q2X065JH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor
(Homo sapiens (Human))
BDBM22871
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
DrugBank
Article
PubMed
28
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Mayo Clinic and Foundation
Curated by
PDSP K
i
Database
Eur J Pharmacol
103:
197
-
204
(1984)
Article DOI:
10.1016/0014-2999(84)90478-3
BindingDB Entry DOI:
10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor
(Homo sapiens (Human))
BDBM22871
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
DrugBank
Article
PubMed
31
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Case Western Reserve University
Curated by
PDSP K
i
Database
Neuropsychopharmacology
28:
519
-
26
(2003)
Article DOI:
10.1038/sj.npp.1300027
BindingDB Entry DOI:
10.7270/Q2833QKK
More data for this
Ligand-Target Pair