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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-1' and Ligand = 'BDBM192516'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM192516
PNG
(US9187477, 12)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)OC(=O)N1CCOCC1
Show InChI InChI=1S/C29H33ClN4O7/c30-20-13-21-27(33-28(31-21)41-23-15-39-25-22(35)14-38-26(23)25)32-24(20)18-3-1-16(2-4-18)17-5-7-19(8-6-17)40-29(36)34-9-11-37-12-10-34/h1-4,13,17,19,22-23,25-26,35H,5-12,14-15H2,(H,31,32,33)/t17-,19+,22-,23-,25?,26?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 1.31E+3n/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