BDBM50080191 CHEMBL75974::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-(3-butyl-[1,2,4]oxadiazol-5-yl)-3-carbamoyl-propylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CCCCc1noc(n1)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

InChI Key: InChIKey=LWKCPLHWIFYSEF-IRXDYDNUSA-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 = 50080191   

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))	BDBM50080191 (CHEMBL75974 | Phosphoric acid mono-(4-{(S)-2-acety...) Show SMILES CCCCc1noc(n1)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C21H30N5O8P/c1-3-4-5-19-25-21(33-26-19)16(10-11-18(22)28)24-20(29)17(23-13(2)27)12-14-6-8-15(9-7-14)34-35(30,31)32/h6-9,16-17H,3-5,10-12H2,1-2H3,(H2,22,28)(H,23,27)(H,24,29)(H2,30,31,32)/t16-,17-/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	3.84E+5	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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