BDBM50073910 CHEMBL431381::{4-[(S)-2-Acetylamino-2-(1-{(S)-2-carbamoyl-1-[3-(5-chloro-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-ethyl]-benzyl}-phosphonic acid

SMILES: CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(Cl)ccc12

InChI Key: InChIKey=IHAHKOBLYCNBRD-NSOVKSMOSA-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 = 50073910   

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))	BDBM50073910 (CHEMBL431381 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-c...) Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(Cl)ccc12 Show InChI InChI=1S/C34H44ClN6O8P/c1-22(42)38-27(18-23-6-8-24(9-7-23)21-50(47,48)49)32(45)40-34(13-3-2-4-14-34)33(46)39-28(20-30(36)43)31(44)37-15-5-16-41-17-12-25-19-26(35)10-11-29(25)41/h6-12,17,19,27-28H,2-5,13-16,18,20-21H2,1H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t27-,28-/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	59	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor				Bioorg Med Chem Lett 9: 221-6 (1999) BindingDB Entry DOI: 10.7270/Q2N58KJG
					More data for this Ligand-Target Pair