BDBM50093125 (4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cyclohexylcarbamoyl)-cyclohexylcarbamoyl]-ethyl}-benzyl)-phosphonic acid::CHEMBL78242

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

InChI Key: InChIKey=HXDHXQMPLHBMEK-BDTNDASRSA-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 = 50093125   

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))	BDBM50093125 ((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...) Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O Show InChI InChI=1S/C26H39N4O7P/c1-17(31)28-22(15-18-9-11-19(12-10-18)16-38(35,36)37)24(33)30-26(13-5-2-6-14-26)25(34)29-21-8-4-3-7-20(21)23(27)32/h9-12,20-22H,2-8,13-16H2,1H3,(H2,27,32)(H,28,31)(H,29,34)(H,30,33)(H2,35,36,37)/t20-,21+,22-/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	700	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