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SMILES: COc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1

InChI Key: InChIKey=JDZPASOANBJWRN-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 = 50163363   
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)
BDBM50163363
PNG
(CHEMBL3792410)
Show SMILES COc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O5/c1-34-22-17(4-3-16-18(22)13-35-23(16)33)19(31)12-28-6-8-29(9-7-28)21(32)10-15-2-5-20(24-11-15)30-14-25-26-27-30/h2-5,11,14,19,31H,6-10,12-13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+4n/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))
BDBM50163363
PNG
(CHEMBL3792410)
Show SMILES COc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O5/c1-34-22-17(4-3-16-18(22)13-35-23(16)33)19(31)12-28-6-8-29(9-7-28)21(32)10-15-2-5-20(24-11-15)30-14-25-26-27-30/h2-5,11,14,19,31H,6-10,12-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 630n/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