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BDBM249149 US9453038, 27

SMILES: CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CC(O)=O)cc1)-c1ccccn1

InChI Key: InChIKey=KPCXHHRZCBNNKY-UHFFFAOYNA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 249149   
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/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM249149
PNG
(US9453038, 27)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CC(O)=O)cc1)-c1ccccn1
Show InChI InChI=1/C26H23N3O4/c1-29-23(9-10-25(29)30)19-15-21-17(13-22(28-21)20-4-2-3-11-27-20)14-24(19)33-18-7-5-16(6-8-18)12-26(31)32/h2-8,11,13-15,23,28H,9-10,12H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 23.8n/an/an/a30



Merck Sharp & Dohme Corp

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair