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SMILES: COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc([nH]c1=O)C(F)(F)c1ccccc1

InChI Key:

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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 = 50607300   
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))		BDBM50607300
PNG
(CHEMBL5218588)
Show SMILES COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc([nH]c1=O)C(F)(F)c1ccccc1 |(3.42,-2.7,;2.08,-1.93,;2.08,-.39,;3.41,.39,;3.41,1.92,;4.74,2.69,;6.08,3.46,;2.08,2.69,;2.08,4.23,;3.41,5,;4.75,4.23,;6.08,5.01,;6.07,6.54,;4.74,7.31,;3.41,6.54,;2.08,7.31,;.75,1.92,;.75,.38,;-.59,-.39,;-1.92,.39,;-1.92,1.93,;-3.26,-.39,;-3.26,-1.93,;-1.92,-2.7,;-.59,-1.93,;.75,-2.7,;-4.59,-2.7,;-6.08,-3.09,;-5.36,-1.36,;-4.59,-4.24,;-3.26,-5.01,;-3.26,-6.54,;-4.59,-7.31,;-5.92,-6.55,;-5.93,-5.01,)|
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n/an/a 145n/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