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BDBM50163360 CHEMBL3792978

SMILES: Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1

InChI Key: InChIKey=IWPLBAYOPYISRO-UHFFFAOYNA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50163360   
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))
BDBM50163360
PNG
(CHEMBL3792978)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H24FN7O3/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(24)12-29-6-8-30(9-7-29)22(32)10-16-2-5-21(25-11-16)31-14-26-27-28-31/h2-5,11,14,20H,6-10,12-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 220n/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)
BDBM50163360
PNG
(CHEMBL3792978)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H24FN7O3/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(24)12-29-6-8-30(9-7-29)22(32)10-16-2-5-21(25-11-16)31-14-26-27-28-31/h2-5,11,14,20H,6-10,12-13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology analysis


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


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50163360
PNG
(CHEMBL3792978)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H24FN7O3/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(24)12-29-6-8-30(9-7-29)22(32)10-16-2-5-21(25-11-16)31-14-26-27-28-31/h2-5,11,14,20H,6-10,12-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


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)
BDBM50163360
PNG
(CHEMBL3792978)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H24FN7O3/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(24)12-29-6-8-30(9-7-29)22(32)10-16-2-5-21(25-11-16)31-14-26-27-28-31/h2-5,11,14,20H,6-10,12-13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/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