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BDBM50009094 CHEMBL3237993

SMILES: CNS(=O)(=O)c1ccc(cc1)N1CCN(C[C@@H]1C#CC)S(=O)(=O)c1ccc(N)nc1

InChI Key: InChIKey=AZCZVIWSFGSHOZ-INIZCTEOSA-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 = 50009094   
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)
BDBM50009094
PNG
(CHEMBL3237993)
Show SMILES CNS(=O)(=O)c1ccc(cc1)N1CCN(C[C@@H]1C#CC)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O4S2/c1-3-4-16-14-23(30(27,28)18-9-10-19(20)22-13-18)11-12-24(16)15-5-7-17(8-6-15)29(25,26)21-2/h5-10,13,16,21H,11-12,14H2,1-2H3,(H2,20,22)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 97n/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)
BDBM50009094
PNG
(CHEMBL3237993)
Show SMILES CNS(=O)(=O)c1ccc(cc1)N1CCN(C[C@@H]1C#CC)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O4S2/c1-3-4-16-14-23(30(27,28)18-9-10-19(20)22-13-18)11-12-24(16)15-5-7-17(8-6-15)29(25,26)21-2/h5-10,13,16,21H,11-12,14H2,1-2H3,(H2,20,22)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 35n/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)