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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 = 'BDBM50533150'   
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))
BDBM50533150
PNG
(CHEMBL4522413)
Show SMILES CC(CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C25H28N6O3/c1-17(21-7-8-22-23(18(21)2)15-34-25(22)33)14-29-9-11-30(12-10-29)24(32)13-19-3-5-20(6-4-19)31-16-26-27-28-31/h3-8,16-17H,9-15H2,1-2H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50533150
PNG
(CHEMBL4522413)
Show SMILES CC(CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C25H28N6O3/c1-17(21-7-8-22-23(18(21)2)15-34-25(22)33)14-29-9-11-30(12-10-29)24(32)13-19-3-5-20(6-4-19)31-16-26-27-28-31/h3-8,16-17H,9-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1
More data for this
Ligand-Target Pair