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BDBM50009102 CHEMBL3238301

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

InChI Key: InChIKey=ULWPZVFGWXVNBJ-NENZQZOMSA-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 = 50009102   
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)
BDBM50009102
PNG
(CHEMBL3238301)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)S(=N)(=O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C19H20F3N5O3S2/c1-2-3-15-13-26(32(29,30)17-8-9-18(23)25-12-17)10-11-27(15)14-4-6-16(7-5-14)31(24,28)19(20,21)22/h4-9,12,15,24H,10-11,13H2,1H3,(H2,23,25)/t15-,31?/m0/s1
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PC sid
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Article
PubMed
n/an/an/an/a 567n/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)
BDBM50009102
PNG
(CHEMBL3238301)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)S(=N)(=O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C19H20F3N5O3S2/c1-2-3-15-13-26(32(29,30)17-8-9-18(23)25-12-17)10-11-27(15)14-4-6-16(7-5-14)31(24,28)19(20,21)22/h4-9,12,15,24H,10-11,13H2,1H3,(H2,23,25)/t15-,31?/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 45n/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)