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SMILES: Oc1cccc2CC=C(C#N)N(OP(O)(O)=O)c12

InChI Key: InChIKey=PLHQBPLIDOVZLE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112459   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50112459
PNG
(CHEMBL286467 | Phosphoric acid mono-(2-cyano-8-hyd...)
Show SMILES Oc1cccc2CC=C(C#N)N(OP(O)(O)=O)c12 |t:7|
Show InChI InChI=1S/C10H9N2O5P/c11-6-8-5-4-7-2-1-3-9(13)10(7)12(8)17-18(14,15)16/h1-3,5,13H,4H2,(H2,14,15,16)
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PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards phosphotyrosine binding pocket of Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 12: 1295-8 (2002)


BindingDB Entry DOI: 10.7270/Q2959GW0
More data for this
Ligand-Target Pair