BDBM50074261 (S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-(4-methoxy-benzylcarbamoyl)-butyric acid::CHEMBL413096

SMILES: COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1

InChI Key: InChIKey=XIKJZGGCUGHGNF-SFTDATJTSA-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 = 50074261   

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))	BDBM50074261 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1 Show InChI InChI=1S/C24H30N3O10P/c1-15(28)26-21(13-16-3-9-19(10-4-16)37-38(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-17-5-7-18(36-2)8-6-17/h3-10,20-21H,11-14H2,1-2H3,(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	200	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards p56 Lck tyrosine kinase SH2 domain was determined by biological assay				J Med Chem 42: 1757-66 (1999) Article DOI: 10.1021/jm980676t BindingDB Entry DOI: 10.7270/Q29P32BR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50074261 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1 Show InChI InChI=1S/C24H30N3O10P/c1-15(28)26-21(13-16-3-9-19(10-4-16)37-38(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-17-5-7-18(36-2)8-6-17/h3-10,20-21H,11-14H2,1-2H3,(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	200	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