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BDBM138561 US8877741, 1.39

SMILES: CCCOc1cnc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(C)c1

InChI Key: InChIKey=RJKNKKHLHQEWJY-PBVYKCSPSA-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 = 138561   
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 (ACC2)


(Homo sapiens (Human))
BDBM138561
PNG
(US8877741, 1.39)
Show SMILES CCCOc1cnc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(C)c1
Show InChI InChI=1S/C23H31N3O3/c1-5-12-28-22-13-16(2)23(24-14-22)26-11-10-21(15-26)29-20-8-6-19(7-9-20)17(3)25-18(4)27/h6-9,13-14,17,21H,5,10-12,15H2,1-4H3,(H,25,27)/t17-,21?/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 379n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair