Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50344657'   

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))	BDBM50344657 (1-(2-(3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-...) Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCNC(N)=O)cc12)C#N Show InChI InChI=1S/C22H20N4O3/c1-22(2)16-10-13(29-8-7-25-21(24)28)4-6-14(16)19(27)18-15-5-3-12(11-23)9-17(15)26-20(18)22/h3-6,9-10,26H,7-8H2,1-2H3,(H3,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26.2	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...				US Patent US9126931 (2015) BindingDB Entry DOI: 10.7270/Q22J69N8
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50344657 (1-(2-(3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-...) Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCNC(N)=O)cc12)C#N Show InChI InChI=1S/C22H20N4O3/c1-22(2)16-10-13(29-8-7-25-21(24)28)4-6-14(16)19(27)18-15-5-3-12(11-23)9-17(15)26-20(18)22/h3-6,9-10,26H,7-8H2,1-2H3,(H3,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.2	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