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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 = 'BDBM50249241'   
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))
BDBM50249241
PNG
(CHEMBL4092262)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccncc2)CC1 |r|
Show InChI InChI=1S/C24H27N3O4/c1-16-18(2-3-19-20(16)15-31-22(19)29)21(28)14-26-11-6-24(7-12-26)8-13-27(23(24)30)17-4-9-25-10-5-17/h2-5,9-10,21,28H,6-8,11-15H2,1H3/t21-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


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))
BDBM50249241
PNG
(CHEMBL4092262)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccncc2)CC1 |r|
Show InChI InChI=1S/C24H27N3O4/c1-16-18(2-3-19-20(16)15-31-22(19)29)21(28)14-26-11-6-24(7-12-26)8-13-27(23(24)30)17-4-9-25-10-5-17/h2-5,9-10,21,28H,6-8,11-15H2,1H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 64n/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