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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50116840   
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))
BDBM50116840
PNG
(CHEMBL3612813)
Show SMILES Cc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-15-9-21(26-11-17(15)10-25)23(30)13-28-7-5-27(6-8-28)12-22(29)18-3-4-19-20(16(18)2)14-32-24(19)31/h3-4,9,11,22-23,29-30H,5-8,12-14H2,1-2H3/t22-,23?/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


ACS Med Chem Lett 6: 747-52 (2015)


Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50116840
PNG
(CHEMBL3612813)
Show SMILES Cc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-15-9-21(26-11-17(15)10-25)23(30)13-28-7-5-27(6-8-28)12-22(29)18-3-4-19-20(16(18)2)14-32-24(19)31/h3-4,9,11,22-23,29-30H,5-8,12-14H2,1-2H3/t22-,23?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


ACS Med Chem Lett 6: 747-52 (2015)


Article DOI: 10.1021/ml500440u
BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair