Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50330261'   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50330261 (4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...) Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1 Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ALK				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
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