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SMILES: CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OC3CCC3)cc2)cc1

InChI Key: InChIKey=QUUJUPNQYDYUTO-VCUSLETLSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 212757   
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 [129-967]


(Homo sapiens (Human))		BDBM212757
PNG
(US9278954, 7.1)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OC3CCC3)cc2)cc1 |r|
Show InChI InChI=1S/C25H32N2O3/c1-3-26-25(28)18(2)19-7-11-22(12-8-19)30-24-15-16-27(17-24)20-9-13-23(14-10-20)29-21-5-4-6-21/h7-14,18,21,24H,3-6,15-17H2,1-2H3,(H,26,28)/t18?,24-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 41n/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