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SMILES: CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2CC2)c1F

InChI Key: InChIKey=SFNHVWJUFOJGLE-OTOKDRCRSA-N

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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 = 212611   
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))		BDBM212611
PNG
(US9278954, 1.2)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2CC2)c1F |r|
Show InChI InChI=1S/C24H31FN4O2/c1-3-12-26-23-22(25)21(10-13-27-23)29-14-11-20(15-29)31-19-8-4-17(5-9-19)16(2)24(30)28-18-6-7-18/h4-5,8-10,13,16,18,20H,3,6-7,11-12,14-15H2,1-2H3,(H,26,27)(H,28,30)/t16?,20-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 61n/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