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BDBM192514 US9187477, 10

SMILES: CCNC(=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=CEHLQLSXUUPFAM-ANSSWXJNSA-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 = 192514   
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))
BDBM192514
PNG
(US9187477, 10)
Show SMILES CCNC(=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/C27H31ClN4O6/c1-2-29-27(34)37-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(28)11-19-25(31-22)32-26(30-19)38-21-13-36-23-20(33)12-35-24(21)23/h3-6,11,15,17,20-21,23-24,33H,2,7-10,12-13H2,1H3,(H,29,34)(H,30,31,32)/t15-,17+,20-,21-,23?,24?/m1/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 26n/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