BindingDB logo
myBDB logout

BDBM148613 US8962641, 7.37

SMILES: C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCOCC3)c2F)cc1

InChI Key: InChIKey=RJCVLUPAIATRQR-VIHIFUDJNA-N

Data: 1 IC50

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 = 148613   
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))
BDBM148613
PNG
(US8962641, 7.37)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCOCC3)c2F)cc1
Show InChI InChI=1/C23H29FN4O4/c1-15(27-16(2)29)17-3-5-18(6-4-17)31-20-7-10-28(13-20)22-21(24)23(26-14-25-22)32-19-8-11-30-12-9-19/h3-6,14-15,19-20H,7-13H2,1-2H3,(H,27,29)/t15-,20+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 250n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair