BDBM50394681 CHEMBL2165620

SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1

InChI Key InChIKey=GKMLFBRLRVQVJO-ZDUSSCGKSA-N

Data  3 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50394681   

TargetHexokinase-4(Rattus norvegicus)
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50394681(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
Affinity DataEC50:  6.90E+3nMAssay Description:Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretionMore data for this Ligand-Target Pair
TargetHexokinase-4(Rattus norvegicus)
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50394681(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
Affinity DataEC50:  190nMAssay Description:Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...More data for this Ligand-Target Pair
TargetHexokinase-4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50394681(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
Affinity DataEC50:  90nMAssay Description:Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysisMore data for this Ligand-Target Pair