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SMILES: COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

InChI Key: InChIKey=AKHUCHIJKLBOOT-VXKWHMMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074258   
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))		BDBM50074258
PNG
(CHEMBL351905 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)13-21(24(30)26-15-19-7-5-6-8-23(19)35-4)28-25(31)22(27-17(3)29)14-18-9-11-20(12-10-18)36-37(32,33)34/h5-12,16,21-22H,13-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t21-,22-/m0/s1
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Similars
Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair