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SMILES: CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O

InChI Key: InChIKey=CUPFPPXALAWTAW-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386151   
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
Chondroitin sulfate N-acetylgalactosaminyltransferase 1


(Homo sapiens (Human))		BDBM50386151
PNG
(CHEMBL2042352)
Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H19FN4O4S/c1-11(2)19(21(29)30)26-20(28)17-10-16(27-31-17)12-3-6-14(7-4-12)24-22-25-15-8-5-13(23)9-18(15)32-22/h3-11,19H,1-2H3,(H,24,25)(H,26,28)(H,29,30)/t19-/m0/s1
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PC cid
PC sid
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Article
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n/an/a 1.20E+5n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting

Eur J Med Chem 54: 324-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.016
BindingDB Entry DOI: 10.7270/Q25B03HK
More data for this
Ligand-Target Pair