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BDBM192515 US9187477, 11

SMILES: CC(C)NC(=O)O[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl

InChI Key: InChIKey=WOBBBCGQZGWXDO-LJMYNTCBSA-N

Data: 1 EC50

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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 = 192515   
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


(Homo sapiens (Human))
BDBM192515
PNG
(US9187477, 11)
Show SMILES CC(C)NC(=O)O[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C28H33ClN4O6/c1-14(2)30-28(35)38-18-9-7-16(8-10-18)15-3-5-17(6-4-15)23-19(29)11-20-26(32-23)33-27(31-20)39-22-13-37-24-21(34)12-36-25(22)24/h3-6,11,14,16,18,21-22,24-25,34H,7-10,12-13H2,1-2H3,(H,30,35)(H,31,32,33)/t16-,18+,21-,22-,24?,25?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 35n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair