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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM195933'   
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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM195933
PNG
(US9206199, 38)
Show SMILES Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1 |r|
Show InChI InChI=1S/C22H21FN8O2/c1-24-20-8-15(2-5-19(20)23)21-12-29-6-7-30(11-18(29)13-33-21)22(32)9-16-3-4-17(10-25-16)31-14-26-27-28-31/h2-5,8,10,14,18,21H,6-7,9,11-13H2/t18-,21-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9206199 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MND
More data for this
Ligand-Target Pair