BDBM50074249 (S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-phenethylcarbamoyl-butyric acid::4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-phenethylcarbamoyl-butyric acid::CHEMBL428182

SMILES: CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1ccccc1

InChI Key: InChIKey=XBZSMLHPARBPGD-SFTDATJTSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50074249   

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))	BDBM50074249 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C24H30N3O9P/c1-16(28)26-21(15-18-7-9-19(10-8-18)36-37(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-13-17-5-3-2-4-6-17/h2-10,20-21H,11-15H2,1H3,(H,25,31)(H,26,28)(H,27,32)(H,29,30)(H2,33,34,35)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.				Bioorg Med Chem Lett 7: 1107-1112 (1997) Article DOI: 10.1016/S0960-894X(97)00190-X BindingDB Entry DOI: 10.7270/Q24F1QR8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50074249 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C24H30N3O9P/c1-16(28)26-21(15-18-7-9-19(10-8-18)36-37(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-13-17-5-3-2-4-6-17/h2-10,20-21H,11-15H2,1H3,(H,25,31)(H,26,28)(H,27,32)(H,29,30)(H2,33,34,35)/t20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein				J Med Chem 42: 722-9 (1999) Article DOI: 10.1021/jm980612i BindingDB Entry DOI: 10.7270/Q2Q23ZDX
					More data for this Ligand-Target Pair