BDBM50074251 (S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-carbamoyl-butyric acid::CHEMBL293731

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

InChI Key: InChIKey=OEHQWQRKDKDFPD-STQMWFEESA-N

Data: 2 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 = 50074251   

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))	BDBM50074251 ((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(N)=O Show InChI InChI=1S/C16H22N3O9P/c1-9(20)18-13(16(24)19-12(15(17)23)6-7-14(21)22)8-10-2-4-11(5-3-10)28-29(25,26)27/h2-5,12-13H,6-8H2,1H3,(H2,17,23)(H,18,20)(H,19,24)(H,21,22)(H2,25,26,27)/t12-,13-/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	2.70E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Dissociation constant for p56 Lck tyrosine kinase SH2 domain binding to C-terminal ITAM2 phosphopeptide				J Med Chem 47: 3502-11 (2004) Article DOI: 10.1021/jm030470e BindingDB Entry DOI: 10.7270/Q28915B4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50074251 ((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(N)=O Show InChI InChI=1S/C16H22N3O9P/c1-9(20)18-13(16(24)19-12(15(17)23)6-7-14(21)22)8-10-2-4-11(5-3-10)28-29(25,26)27/h2-5,12-13H,6-8H2,1H3,(H2,17,23)(H,18,20)(H,19,24)(H,21,22)(H2,25,26,27)/t12-,13-/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	2.70E+4	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