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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 = 'BDBM50249227'   
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))
BDBM50249227
PNG
(CHEMBL4095422)
Show SMILES Cc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Show InChI InChI=1S/C22H26N4O4S/c1-13-15(3-4-16-17(13)12-30-19(16)28)18(27)11-25-8-5-22(6-9-25)7-10-26(20(22)29)21-23-14(2)24-31-21/h3-4,18,27H,5-12H2,1-2H3/t18-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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))
BDBM50249227
PNG
(CHEMBL4095422)
Show SMILES Cc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Show InChI InChI=1S/C22H26N4O4S/c1-13-15(3-4-16-17(13)12-30-19(16)28)18(27)11-25-8-5-22(6-9-25)7-10-26(20(22)29)21-23-14(2)24-31-21/h3-4,18,27H,5-12H2,1-2H3/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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