BindingDB logo
myBDB logout

null

SMILES: CC(C)OC(=O)C1=C(C)N(CC(F)(F)F)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O

InChI Key: InChIKey=KFEMTAUJMSZDJK-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 = 50133447   
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
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133447
PNG
(4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-et...)
Show SMILES CC(C)OC(=O)C1=C(C)N(CC(F)(F)F)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,18|
Show InChI InChI=1S/C20H19ClF3NO6/c1-9(2)31-19(30)13-10(3)25(8-20(22,23)24)16(18(28)29)15(17(26)27)14(13)11-6-4-5-7-12(11)21/h4-7,9,14H,8H2,1-3H3,(H,26,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133447
PNG
(4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-et...)
Show SMILES CC(C)OC(=O)C1=C(C)N(CC(F)(F)F)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,18|
Show InChI InChI=1S/C20H19ClF3NO6/c1-9(2)31-19(30)13-10(3)25(8-20(22,23)24)16(18(28)29)15(17(26)27)14(13)11-6-4-5-7-12(11)21/h4-7,9,14H,8H2,1-3H3,(H,26,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair