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BDBM192518 US9187477, 14

SMILES: CC(C)NC(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl

InChI Key: InChIKey=VHWHYFCENXKFDN-WXYTXABISA-N

Data: 1 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 1 hit for monomerid = 192518   
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))
BDBM192518
PNG
(US9187477, 14)
Show SMILES CC(C)NC(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C27H32ClN5O6/c1-14(2)29-27(35)38-17-7-9-33(10-8-17)16-5-3-15(4-6-16)22-18(28)11-19-25(31-22)32-26(30-19)39-21-13-37-23-20(34)12-36-24(21)23/h3-6,11,14,17,20-21,23-24,34H,7-10,12-13H2,1-2H3,(H,29,35)(H,30,31,32)/t20-,21-,23?,24?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 578n/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