BDBM50080184 CHEMBL311370::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-(3-pentyl-[1,2,4]oxadiazol-5-yl)-propylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CCCCCc1noc(n1)[C@H](CC)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

InChI Key: InChIKey=LSMFOPAHJLBGHK-ROUUACIJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50080184   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50080184 (CHEMBL311370 | Phosphoric acid mono-(4-{(S)-2-acet...) Show SMILES CCCCCc1noc(n1)[C@H](CC)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C21H31N4O7P/c1-4-6-7-8-19-24-21(31-25-19)17(5-2)23-20(27)18(22-14(3)26)13-15-9-11-16(12-10-15)32-33(28,29)30/h9-12,17-18H,4-8,13H2,1-3H3,(H,22,26)(H,23,27)(H2,28,29,30)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against Src-homology 2 (SRC SH2).				Bioorg Med Chem Lett 9: 2359-64 (1999) BindingDB Entry DOI: 10.7270/Q2G73CX5
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