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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM50338559'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))		BDBM50338559
PNG
(1,1,1-Trifluoro-2-methylpropan-2-yl 4-[4-({2-[(eth...)
Show SMILES CCNC(=O)Nc1sc2cc(C)ccc2c1C(=O)N1CCN(CC1)C1CCN(CC1)C(=O)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C27H36F3N5O3S/c1-5-31-25(38)32-22-21(19-7-6-17(2)16-20(19)39-22)23(36)34-14-12-33(13-15-34)18-8-10-35(11-9-18)24(37)26(3,4)27(28,29)30/h6-7,16,18H,5,8-15H2,1-4H3,(H2,31,32,38)
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PubMed
n/an/a 192n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of c-Myc tagged human recombinant ACC1 expressed in baculovirus infected Sf9 cell system assessed as malonyl-CoA synthesis

Bioorg Med Chem 19: 1580-93 (2011)


Article DOI: 10.1016/j.bmc.2011.01.041
BindingDB Entry DOI: 10.7270/Q2NS0VWF
More data for this
Ligand-Target Pair