BDBM50093127 (4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cyclohexylcarbamoyl)-cyclohexylcarbamoyl]-ethyl}-benzyl)-benzyl-phosphinic acid::CHEMBL78061

SMILES: CC(=O)N[C@@H](Cc1ccc(CP(O)(=O)Cc2ccccc2)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O

InChI Key: InChIKey=YHBRYVQHXNPTRB-NHKHRBQYSA-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 = 50093127   

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))	BDBM50093127 ((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...) Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(=O)Cc2ccccc2)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O Show InChI InChI=1S/C33H45N4O6P/c1-23(38)35-29(20-24-14-16-26(17-15-24)22-44(42,43)21-25-10-4-2-5-11-25)31(40)37-33(18-8-3-9-19-33)32(41)36-28-13-7-6-12-27(28)30(34)39/h2,4-5,10-11,14-17,27-29H,3,6-9,12-13,18-22H2,1H3,(H2,34,39)(H,35,38)(H,36,41)(H,37,40)(H,42,43)/t27-,28+,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain				Bioorg Med Chem Lett 10: 2337-41 (2001) BindingDB Entry DOI: 10.7270/Q2SF2VDQ
					More data for this Ligand-Target Pair