Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50396244'   

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))	BDBM50396244 (CHEMBL2172307) Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(N)=O)cc12 |r,wU:9.12,6.5,wD:34.37,(44,-11.13,;42.5,-10.81,;42.02,-9.35,;41.47,-11.96,;39.96,-11.64,;38.93,-12.79,;39.48,-10.18,;37.97,-9.86,;37.5,-8.4,;38.53,-7.26,;40.03,-7.56,;40.51,-9.03,;38.04,-5.8,;38.95,-4.53,;40.49,-4.53,;41.25,-3.19,;40.47,-1.86,;42.79,-3.18,;43.56,-4.51,;45.1,-4.5,;45.87,-3.16,;47.41,-3.15,;45.08,-1.83,;43.54,-1.84,;38.03,-3.29,;36.56,-3.77,;35.22,-3.01,;33.89,-3.78,;33.89,-5.32,;32.56,-6.09,;31.22,-5.32,;31.07,-3.79,;29.56,-3.47,;28.79,-4.81,;29.82,-5.95,;29.5,-7.46,;28.04,-7.94,;30.65,-8.49,;35.22,-6.09,;36.57,-5.32,)| Show InChI InChI=1S/C30H37FN6O3/c1-18(2)33-28(39)21-8-12-23(13-9-21)37-26-16-19(17-36-15-3-4-25(36)27(32)38)5-14-24(26)34-30(37)35-29(40)20-6-10-22(31)11-7-20/h5-7,10-11,14,16,18,21,23,25H,3-4,8-9,12-13,15,17H2,1-2H3,(H2,32,38)(H,33,39)(H,34,35,40)/t21-,23+,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of ALK enzyme				J Med Chem 55: 6523-40 (2012) Article DOI: 10.1021/jm3005866 BindingDB Entry DOI: 10.7270/Q2M046KT
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50396244 (CHEMBL2172307) Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(N)=O)cc12 |r,wU:9.12,6.5,wD:34.37,(44,-11.13,;42.5,-10.81,;42.02,-9.35,;41.47,-11.96,;39.96,-11.64,;38.93,-12.79,;39.48,-10.18,;37.97,-9.86,;37.5,-8.4,;38.53,-7.26,;40.03,-7.56,;40.51,-9.03,;38.04,-5.8,;38.95,-4.53,;40.49,-4.53,;41.25,-3.19,;40.47,-1.86,;42.79,-3.18,;43.56,-4.51,;45.1,-4.5,;45.87,-3.16,;47.41,-3.15,;45.08,-1.83,;43.54,-1.84,;38.03,-3.29,;36.56,-3.77,;35.22,-3.01,;33.89,-3.78,;33.89,-5.32,;32.56,-6.09,;31.22,-5.32,;31.07,-3.79,;29.56,-3.47,;28.79,-4.81,;29.82,-5.95,;29.5,-7.46,;28.04,-7.94,;30.65,-8.49,;35.22,-6.09,;36.57,-5.32,)| Show InChI InChI=1S/C30H37FN6O3/c1-18(2)33-28(39)21-8-12-23(13-9-21)37-26-16-19(17-36-15-3-4-25(36)27(32)38)5-14-24(26)34-30(37)35-29(40)20-6-10-22(31)11-7-20/h5-7,10-11,14,16,18,21,23,25H,3-4,8-9,12-13,15,17H2,1-2H3,(H2,32,38)(H,33,39)(H,34,35,40)/t21-,23+,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of ALK Tyr1604 phosphorylation by cell based assay				J Med Chem 55: 6523-40 (2012) Article DOI: 10.1021/jm3005866 BindingDB Entry DOI: 10.7270/Q2M046KT
					More data for this Ligand-Target Pair