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BDBM50163368 CHEMBL3794427

SMILES: FC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1

InChI Key: InChIKey=VYLNAVUTPJRLHH-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50163368   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163368
PNG
(CHEMBL3794427)
Show SMILES FC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN5O3/c25-24(8-7-18-3-6-21-19(13-18)15-33-23(21)32)9-11-29(12-10-24)22(31)14-17-1-4-20(5-2-17)30-16-26-27-28-30/h1-6,13,16H,7-12,14-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163368
PNG
(CHEMBL3794427)
Show SMILES FC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN5O3/c25-24(8-7-18-3-6-21-19(13-18)15-33-23(21)32)9-11-29(12-10-24)22(31)14-17-1-4-20(5-2-17)30-16-26-27-28-30/h1-6,13,16H,7-12,14-15H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair