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SMILES: N[C@@H]1c2ccccc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 608518   
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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM608518
PNG
(6-amino-2-[(3R)-3-amino-3H-spiro[1- benzofuran-2,4...)
Show SMILES N[C@@H]1c2ccccc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(5.14,-.68,;4.37,-2.02,;5.4,-3.16,;6.94,-3.16,;7.71,-4.49,;6.94,-5.83,;5.4,-5.83,;4.63,-4.49,;3.12,-4.17,;2.96,-2.64,;1.63,-3.41,;.29,-2.64,;.29,-1.1,;1.63,-.33,;2.96,-1.1,;-1.04,-.33,;-1.04,1.21,;-2.37,1.98,;-2.37,3.52,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;-3.71,-.33,;-2.37,-1.1,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,)|
PDB
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PC cid
PC sid
UniChem
n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JS9VKW
More data for this
Ligand-Target Pair