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BDBM50407717 CHEMBL147624

InChI string: InChI=1S/C24H25N7O6S/c1-35-19-14-17-18(15-20(19)36-2)26-24(27-22(17)25)29-10-12-30(13-11-29)38(33,34)23-21(31(32)37-28-23)16-8-6-4-3-5-7-9-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,27)/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,16-8+,16-9+

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1no[n+]([O-])c1/C1=C/C=C\C=C/C=C\1

InChI Key: InChIKey=WQKJSHPZIDPUQH-MMNWUQJVSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407717   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus (Rat))
BDBM50407717
PNG
(CHEMBL147624)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1no[n+]([O-])c1/C1=C/C=C\C=C/C=C\1
Show InChI InChI=1S/C24H25N7O6S/c1-35-19-14-17-18(15-20(19)36-2)26-24(27-22(17)25)29-10-12-30(13-11-29)38(33,34)23-21(31(32)37-28-23)16-8-6-4-3-5-7-9-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,27)/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,16-8+,16-9+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/an/a 3.24n/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Partial affinity towards Alpha-1 adrenergic receptor was assessed on rat aortic strips


J Med Chem 38: 4944-9 (1996)

More data for this
Ligand-Target Pair