Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ZAP-70' and Ligand = 'BDBM50069337'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50069337 (CHEMBL336975 | [4-({[({[[(Carbamoylmethyl-ethyl-ca...) Show SMILES CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C35H52N5O8P/c1-4-7-9-16-32(42)40(22-29-17-19-30(20-18-29)27-49(46,47)48)26-34(44)38(6-3)24-35(45)39(21-12-15-28-13-10-8-11-14-28)25-33(43)37(5-2)23-31(36)41/h8,10-11,13-14,17-20H,4-7,9,12,15-16,21-27H2,1-3H3,(H2,36,41)(H2,46,47,48)	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	1.00E+5	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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