BDBM50112967 (S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-methylcarbamoyl-butyric acid::CHEMBL281544

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

InChI Key: InChIKey=VRUZVBOLWDATIR-KBPBESRZSA-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 = 50112967   

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50112967 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C17H24N3O9P/c1-10(21)19-14(9-11-3-5-12(6-4-11)29-30(26,27)28)17(25)20-13(16(24)18-2)7-8-15(22)23/h3-6,13-14H,7-9H2,1-2H3,(H,18,24)(H,19,21)(H,20,25)(H,22,23)(H2,26,27,28)/t13-,14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Products Limited Curated by ChEMBL					Assay Description Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA)				Bioorg Med Chem Lett 12: 1365-9 (2002) BindingDB Entry DOI: 10.7270/Q20002MH
					More data for this Ligand-Target Pair