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SMILES: CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N(CC)CC)cc1

InChI Key: InChIKey=KTLVKQXRFOARTH-UUSAFJCLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 212703   
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))		BDBM212703
PNG
(US9278954, 2.1)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N(CC)CC)cc1 |r|
Show InChI InChI=1S/C23H33N5O2/c1-5-24-22(29)17(4)18-8-10-19(11-9-18)30-20-13-15-28(16-20)21-12-14-25-23(26-21)27(6-2)7-3/h8-12,14,17,20H,5-7,13,15-16H2,1-4H3,(H,24,29)/t17?,20-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 95n/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