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SMILES: COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CS(O)(=O)=O)cc2)NC(C)=O)cc1

InChI Key: InChIKey=TYWSBJBADCSYNG-VXKWHMMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077212   
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 kinase Lck


(Homo sapiens (Human))		BDBM50077212
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-sulfomethyl-phenyl)-...)
Show SMILES COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CS(O)(=O)=O)cc2)NC(C)=O)cc1
Show InChI InChI=1S/C25H31N3O9S/c1-16(29)27-22(13-17-3-5-19(6-4-17)15-38(34,35)36)25(33)28-21(11-12-23(30)31)24(32)26-14-18-7-9-20(37-2)10-8-18/h3-10,21-22H,11-15H2,1-2H3,(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35,36)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 2.50E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards p56 Lck tyrosine kinase SH2 domain was determined by biological assay

J Med Chem 42: 1757-66 (1999)


Article DOI: 10.1021/jm980676t
BindingDB Entry DOI: 10.7270/Q29P32BR
More data for this
Ligand-Target Pair