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SMILES: CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)-c1nnn[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=KXFBWTYGBORVKO-ZEQRLZLVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112100   
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 1


(Homo sapiens (Human))		BDBM50112100
PNG
(CHEMBL51202 | [4-[2-(2-tert-Butoxycarbonylamino-3-...)
Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)-c1nnn[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H41N7O7/c1-5-6-10-15-32-28(41)23(18-21-13-14-25(44-19-26(39)40)22(16-21)27-35-37-38-36-27)33-29(42)24(17-20-11-8-7-9-12-20)34-30(43)45-31(2,3)4/h7-9,11-14,16,23-24H,5-6,10,15,17-19H2,1-4H3,(H,32,41)(H,33,42)(H,34,43)(H,39,40)(H,35,36,37,38)/t23-,24-/m0/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Protein-tyrosine phosphatase 1B

J Med Chem 45: 1785-98 (2002)


BindingDB Entry DOI: 10.7270/Q27D2TFF
More data for this
Ligand-Target Pair