BDBM50093130 (4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cyclohexylcarbamoyl)-cyclohexylcarbamoyl]-ethyl}-benzyl)-methyl-phosphinic acid::CHEMBL419269

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

InChI Key: InChIKey=HQTDYCVNQZFEOV-ZRBLBEILSA-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 = 50093130   

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))	BDBM50093130 ((4-{(S)-2-Acetylamino-2-[1-((1R,2S)-2-carbamoyl-cy...) Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(C)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O Show InChI InChI=1S/C27H41N4O6P/c1-18(32)29-23(16-19-10-12-20(13-11-19)17-38(2,36)37)25(34)31-27(14-6-3-7-15-27)26(35)30-22-9-5-4-8-21(22)24(28)33/h10-13,21-23H,3-9,14-17H2,1-2H3,(H2,28,33)(H,29,32)(H,30,35)(H,31,34)(H,36,37)/t21-,22+,23-/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	2.55E+4	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