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BDBM212670 US9278954, 1.61

SMILES: CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2COC2)c1F

InChI Key: InChIKey=MXMDYBZFBODMTP-FMHOSQOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 212670   
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
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM212670
PNG
(US9278954, 1.61)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2COC2)c1F
Show InChI InChI=1/C24H31FN4O3/c1-3-10-26-23-22(25)21(8-11-27-23)29-12-9-20(13-29)32-19-6-4-17(5-7-19)16(2)24(30)28-18-14-31-15-18/h4-8,11,16,18,20H,3,9-10,12-15H2,1-2H3,(H,26,27)(H,28,30)/t16?,20-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 626n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair