BDBM50080180 CHEMBL311101::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-(3-hexyl-[1,2,4]oxadiazol-5-yl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CCCCCCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

InChI Key: InChIKey=PODOZVKOSGZSQE-UIOOFZCWSA-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 = 50080180   

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))	BDBM50080180 (CHEMBL311101 | Phosphoric acid mono-(4-{(S)-2-acet...) Show SMILES CCCCCCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C29H36N5O7P/c1-3-4-5-6-11-27-33-29(40-34-27)26(17-21-18-30-24-10-8-7-9-23(21)24)32-28(36)25(31-19(2)35)16-20-12-14-22(15-13-20)41-42(37,38)39/h7-10,12-15,18,25-26,30H,3-6,11,16-17H2,1-2H3,(H,31,35)(H,32,36)(H2,37,38,39)/t25-,26-/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	1.60E+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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