BDBM50069343 CHEMBL130109::{4-[({[({[(Carbamoylmethyl-ethyl-carbamoyl)-methyl]-ethyl-carbamoyl}-methyl)-isobutyl-carbamoyl]-methyl}-hexanoyl-amino)-methyl]-benzyl}-phosphonic acid

SMILES: CCCCCC(=O)N(CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1

InChI Key: InChIKey=QRJXVQZMRFPVAR-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 = 50069343   

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
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50069343 (CHEMBL130109 | {4-[({[({[(Carbamoylmethyl-ethyl-ca...) Show SMILES CCCCCC(=O)N(CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C30H50N5O8P/c1-6-9-10-11-27(37)35(17-24-12-14-25(15-13-24)22-44(41,42)43)21-30(40)34(16-23(4)5)20-29(39)33(8-3)19-28(38)32(7-2)18-26(31)36/h12-15,23H,6-11,16-22H2,1-5H3,(H2,31,36)(H2,41,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical Research Novartis Curated by ChEMBL					Assay Description Inhibition of binding to human ZAP-70 SH2 domain				Bioorg Med Chem Lett 8: 405-8 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R78
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