BDBM50112957 (S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-((S)-3-carboxy-1-methylcarbamoyl-propylcarbamoyl)-butyric acid::CHEMBL29557

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

InChI Key: InChIKey=XIEHJYPEFGDPBR-ULQDDVLXSA-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 = 50112957   

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))	BDBM50112957 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C22H31N4O12P/c1-12(27)24-17(11-13-3-5-14(6-4-13)38-39(35,36)37)22(34)26-16(8-10-19(30)31)21(33)25-15(20(32)23-2)7-9-18(28)29/h3-6,15-17H,7-11H2,1-2H3,(H,23,32)(H,24,27)(H,25,33)(H,26,34)(H,28,29)(H,30,31)(H2,35,36,37)/t15-,16-,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	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