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SMILES: COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc([nH]c1=O)C(N)=O

InChI Key:

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50607317   
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
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))		BDBM50607317
PNG
(CHEMBL5220979)
Show SMILES COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc([nH]c1=O)C(N)=O |(3.34,-4.22,;2.01,-3.46,;2.01,-1.92,;3.33,-1.15,;3.33,.39,;4.67,1.16,;6,1.93,;2,1.15,;2,2.69,;.67,3.46,;-.66,2.69,;-1.99,3.46,;-1.99,5,;-.67,5.77,;.67,5.01,;2,5.78,;.67,.39,;.67,-1.16,;-.66,-1.93,;-2,-1.16,;-2,.38,;-3.33,-1.93,;-3.33,-3.47,;-2,-4.24,;-.66,-3.47,;.67,-4.24,;-4.67,-4.24,;-6,-3.47,;-4.67,-5.78,)|
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n/an/a 900n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31
More data for this
Ligand-Target Pair