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BDBM238051 US9394285, 139

SMILES: OCCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O

InChI Key: InChIKey=YGKWXCWHOYVSAU-UHFFFAOYSA-N

Data: 2 EC50

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 = 238051   
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
5'-AMP-activated protein kinase Complex 1


(Homo sapiens (Human))
BDBM238051
PNG
(US9394285, 139)
Show SMILES OCCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C17H14ClNO4/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)10-1-3-11(4-2-10)23-6-5-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 47n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay


J Med Chem 61: 2372-2383 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01641
BindingDB Entry DOI: 10.7270/Q2028TZT
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens (Human))
BDBM238051
PNG
(US9394285, 139)
Show SMILES OCCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C17H14ClNO4/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)10-1-3-11(4-2-10)23-6-5-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 72.8n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair