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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM317586'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM317586
PNG
(US9624198, 11 | US9624198, 12 | [4-(3,4-Dihydroiso...)
Show SMILES CC1CN(CC(C)O1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
Show InChI InChI=1S/C26H34N4O2/c1-19-16-30(17-20(2)32-19)25-8-7-22(15-27-25)26(31)28-13-10-24(11-14-28)29-12-9-21-5-3-4-6-23(21)18-29/h3-8,15,19-20,24H,9-14,16-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...


US Patent US9624198 (2017)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM317586
PNG
(US9624198, 11 | US9624198, 12 | [4-(3,4-Dihydroiso...)
Show SMILES CC1CN(CC(C)O1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
Show InChI InChI=1S/C26H34N4O2/c1-19-16-30(17-20(2)32-19)25-8-7-22(15-27-25)26(31)28-13-10-24(11-14-28)29-12-9-21-5-3-4-6-23(21)18-29/h3-8,15,19-20,24H,9-14,16-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...


US Patent US9624198 (2017)

More data for this
Ligand-Target Pair