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SMILES: CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(cc1)C(F)(F)F

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50593132   
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
N-terminal Xaa-Pro-Lys N-methyltransferase 1


(Homo sapiens)		BDBM50593132
PNG
(CHEMBL5190365)
Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(cc1)C(F)(F)F |r,wU:7.6,(-1.64,3.15,;-1.64,1.61,;-.31,2.38,;-3.18,1.61,;-3.95,2.94,;-3.18,4.27,;-5.49,2.94,;-6.27,1.61,;-7.81,1.61,;-8.58,.27,;-7.81,-1.06,;-6.27,-1.06,;-5.49,.27,;-6.84,.99,;-7.24,-.5,;-.87,.27,;-1.35,-1.19,;-.1,-2.1,;1.14,-1.19,;.67,.27,;2.63,-1.59,;3.72,-.5,;5.2,-.9,;5.6,-2.39,;4.52,-3.47,;3.03,-3.08,;7.09,-2.79,;8.18,-1.7,;7.49,-4.27,;8.58,-3.19,)|
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PC cid
PC sid
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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC
More data for this
Ligand-Target Pair