BDBM50066512 2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-phenyl]-propionylamino}-hexanoylamino)-N-(2-ethyl-hexyl)-succinamic acid::CHEMBL113789

SMILES: CCCCC(CC)CNC(=O)CC(NC(=O)C(CCCC)NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(O)=O

InChI Key: InChIKey=VLPCGCZDGREOFJ-UHFFFAOYSA-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 = 50066512   

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
Grb2-SH2 (Homo sapiens (Human))	BDBM50066512 (2-(2-{2-Amino-3-[4-(diacetoxy-phosphoryloxy)-pheny...) Show SMILES CCCCC(CC)CNC(=O)CC(NC(=O)C(CCCC)NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(O)=O Show InChI InChI=1S/C31H49N4O11P/c1-6-9-11-22(8-3)19-33-28(38)18-27(31(41)42)35-30(40)26(12-10-7-2)34-29(39)25(32)17-23-13-15-24(16-14-23)46-47(43,44-20(4)36)45-21(5)37/h13-16,22,25-27H,6-12,17-19,32H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)(H,41,42)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain				J Med Chem 41: 3442-9 (1998) Article DOI: 10.1021/jm980159a BindingDB Entry DOI: 10.7270/Q23R0S0N
					More data for this Ligand-Target Pair