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SMILES: COC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C

InChI Key: InChIKey=ISRDPDAMWUGJKM-UHFFFAOYSA-N

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 2 hits for monomerid = 50163362   
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
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50163362
PNG
(CHEMBL3792808)
Show SMILES COC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C24H27N7O4/c1-16-18(4-5-19-20(16)14-35-24(19)33)21(34-2)13-29-7-9-30(10-8-29)23(32)11-17-3-6-22(25-12-17)31-15-26-27-28-31/h3-6,12,15,21H,7-11,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1016/j.bmcl.2016.03.035
BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM50163362
PNG
(CHEMBL3792808)
Show SMILES COC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C24H27N7O4/c1-16-18(4-5-19-20(16)14-35-24(19)33)21(34-2)13-29-7-9-30(10-8-29)23(32)11-17-3-6-22(25-12-17)31-15-26-27-28-31/h3-6,12,15,21H,7-11,13-14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/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)


Article DOI: 10.1016/j.bmcl.2016.03.035
BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair