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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM338476'   
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))
BDBM338476
PNG
(US9751881, Example 8)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)-n2cnnn2)CC1 |r|
Show InChI InChI=1S/C25H29N7O3/c1-17-19(3-4-20-21(17)14-35-24(20)34)22(33)13-30-9-6-25(7-10-30)8-11-31(15-25)23-5-2-18(12-26-23)32-16-27-28-29-32/h2-5,12,16,22,33H,6-11,13-15H2,1H3/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


Bioorg Med Chem Lett 27: 2559-2566 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.086
BindingDB Entry DOI: 10.7270/Q2BV7K1G
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM338476
PNG
(US9751881, Example 8)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)-n2cnnn2)CC1 |r|
Show InChI InChI=1S/C25H29N7O3/c1-17-19(3-4-20-21(17)14-35-24(20)34)22(33)13-30-9-6-25(7-10-30)8-11-31(15-25)23-5-2-18(12-26-23)32-16-27-28-29-32/h2-5,12,16,22,33H,6-11,13-15H2,1H3/t22-/m0/s1
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...


US Patent US9751881 (2017)


BindingDB Entry DOI: 10.7270/Q26M38ZP
More data for this
Ligand-Target Pair