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BDBM307047 US10150728, Example I-260

SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1cc2sc(O[C@@H]3CCOC3)nc2cn1)NC(C)=O

InChI Key: InChIKey=RAZXVHGWMVPRAA-QSPRXWTASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 307047   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307047
PNG
(US10150728, Example I-260)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1cc2sc(O[C@@H]3CCOC3)nc2cn1)NC(C)=O
Show InChI InChI=1S/C21H29N3O5S/c1-13(23-14(2)25)11-27-15-3-5-16(6-4-15)28-20-9-19-18(10-22-20)24-21(30-19)29-17-7-8-26-12-17/h9-10,13,15-17H,3-8,11-12H2,1-2H3,(H,23,25)/t13-,15-,16-,17+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 102n/an/an/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)


BindingDB Entry DOI: 10.7270/Q2WD42M7
More data for this
Ligand-Target Pair