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SMILES: C[C@](O)(c1cccc(c1)-c1cccc2cc(sc12)[C@H](NS(=O)(=O)C1CC1)c1ccccc1Cl)C(F)(F)F

InChI Key: InChIKey=IIJVSKWKBSNBCJ-RSXGOPAZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50500214   
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


(Homo sapiens (Human))
BDBM50500214
PNG
(CHEMBL3746954)
Show SMILES C[C@](O)(c1cccc(c1)-c1cccc2cc(sc12)[C@H](NS(=O)(=O)C1CC1)c1ccccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C27H23ClF3NO3S2/c1-26(33,27(29,30)31)18-8-4-6-16(14-18)20-10-5-7-17-15-23(36-25(17)20)24(21-9-2-3-11-22(21)28)32-37(34,35)19-12-13-19/h2-11,14-15,19,24,32-33H,12-13H2,1H3/t24-,26+/m1/s1
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PC sid
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Article
PubMed
n/an/an/a 3.60E+4n/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Binding affinity to human GKRP by surface plasmon resonance analysis


J Med Chem 58: 9663-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01367
BindingDB Entry DOI: 10.7270/Q27M0BZP
More data for this
Ligand-Target Pair
Glucokinase regulatory protein


(Mus musculus)
BDBM50500214
PNG
(CHEMBL3746954)
Show SMILES C[C@](O)(c1cccc(c1)-c1cccc2cc(sc12)[C@H](NS(=O)(=O)C1CC1)c1ccccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C27H23ClF3NO3S2/c1-26(33,27(29,30)31)18-8-4-6-16(14-18)20-10-5-7-17-15-23(36-25(17)20)24(21-9-2-3-11-22(21)28)32-37(34,35)19-12-13-19/h2-11,14-15,19,24,32-33H,12-13H2,1H3/t24-,26+/m1/s1
PDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of glucokinase-GKRP binding interaction in mouse hepatocytes assessed as induction of glucokinase translocation


J Med Chem 58: 9663-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01367
BindingDB Entry DOI: 10.7270/Q27M0BZP
More data for this
Ligand-Target Pair
Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50500214
PNG
(CHEMBL3746954)
Show SMILES C[C@](O)(c1cccc(c1)-c1cccc2cc(sc12)[C@H](NS(=O)(=O)C1CC1)c1ccccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C27H23ClF3NO3S2/c1-26(33,27(29,30)31)18-8-4-6-16(14-18)20-10-5-7-17-15-23(36-25(17)20)24(21-9-2-3-11-22(21)28)32-37(34,35)19-12-13-19/h2-11,14-15,19,24,32-33H,12-13H2,1H3/t24-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Binding affinity to human biotinylated AviTag GKRP assessed as inhibition of protein interaction with fluorescein tagged human glucokinase by AlphaSc...


J Med Chem 58: 9663-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01367
BindingDB Entry DOI: 10.7270/Q27M0BZP
More data for this
Ligand-Target Pair