Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50344663'   

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))	BDBM50344663 (6,6-dimethyl-8-(4-(oxetan-3-yl)piperazin-1-yl)-11-...) Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-12-17(29-7-9-30(10-8-29)18-14-32-15-18)4-6-19(21)24(31)23-20-5-3-16(13-27)11-22(20)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay				Bioorg Med Chem Lett 21: 3788-93 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.04.020 BindingDB Entry DOI: 10.7270/Q2Q81DF2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50344663 (6,6-dimethyl-8-(4-(oxetan-3-yl)piperazin-1-yl)-11-...) Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-12-17(29-7-9-30(10-8-29)18-14-32-15-18)4-6-19(21)24(31)23-20-5-3-16(13-27)11-22(20)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of ALK activity by TR-FRET assay				J Med Chem 54: 6286-94 (2011) Article DOI: 10.1021/jm200652u BindingDB Entry DOI: 10.7270/Q2P55NWZ
					More data for this Ligand-Target Pair