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BDBM50009115 CHEMBL3237980

SMILES: CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1

InChI Key: InChIKey=HZYIALCWDCIMRP-FXAWDEMLSA-N

Data: 1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50009115   
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
Glucokinase regulatory protein


(Mus musculus)
BDBM50009115
PNG
(CHEMBL3237980)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C21H23F3N4O4S/c1-2-3-17-13-27(33(31,32)18-8-9-19(25)26-12-18)10-11-28(17)16-6-4-15(5-7-16)20(30,14-29)21(22,23)24/h4-9,12,17,29-30H,10-11,13-14H2,1H3,(H2,25,26)/t17-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 98n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GKRP-GK interaction in mouse hepatocytes assessed as induction of GK translocation from nucleus to cytoplasm incubated for 20 mins prio...


J Med Chem 57: 3094-116 (2014)

More data for this
Ligand-Target Pair
Glucokinase regulatory protein


(Homo sapiens)
BDBM50009115
PNG
(CHEMBL3237980)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C21H23F3N4O4S/c1-2-3-17-13-27(33(31,32)18-8-9-19(25)26-12-18)10-11-28(17)16-6-4-15(5-7-16)20(30,14-29)21(22,23)24/h4-9,12,17,29-30H,10-11,13-14H2,1H3,(H2,25,26)/t17-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-tagged human GKRP/fluorescein-tagged GK interaction preincubated for 20 mins prior to GK addition measured after 2 to 4 hrs by A...


J Med Chem 57: 3094-116 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)