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SMILES: COc1cc(ccc1OCCCO)-c1cc2c(c[nH]c2cc1Cl)C(O)=O

InChI Key: InChIKey=IJCOJKSXMUFFCI-UHFFFAOYSA-N

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   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 = 237976   
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 catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))		BDBM237976
PNG
(US9394285, 59)
Show SMILES COc1cc(ccc1OCCCO)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H18ClNO5/c1-25-18-7-11(3-4-17(18)26-6-2-5-22)12-8-13-14(19(23)24)10-21-16(13)9-15(12)20/h3-4,7-10,21-22H,2,5-6H2,1H3,(H,23,24)
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 133n/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