Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50396251'   

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))	BDBM50396251 (CHEMBL2172337) Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(Oc3ccccn3)cc12 |r,wU:9.12,6.5,(19.93,-25.79,;18.42,-25.47,;17.95,-24.01,;17.4,-26.62,;15.89,-26.3,;14.86,-27.45,;15.41,-24.84,;13.9,-24.52,;13.42,-23.06,;14.46,-21.92,;15.96,-22.22,;16.44,-23.69,;13.97,-20.46,;14.88,-19.2,;16.42,-19.19,;17.18,-17.85,;16.4,-16.52,;18.72,-17.84,;19.49,-19.17,;21.03,-19.16,;21.79,-17.82,;23.33,-17.81,;21.01,-16.49,;19.47,-16.5,;13.96,-17.95,;12.48,-18.43,;11.15,-17.67,;9.82,-18.44,;9.82,-19.99,;8.48,-20.75,;7.15,-19.98,;7.15,-18.44,;5.82,-17.67,;4.49,-18.44,;4.49,-19.99,;5.82,-20.75,;11.15,-20.76,;12.49,-19.99,)| Show InChI InChI=1S/C29H30FN5O3/c1-18(2)32-27(36)20-8-12-22(13-9-20)35-25-17-23(38-26-5-3-4-16-31-26)14-15-24(25)33-29(35)34-28(37)19-6-10-21(30)11-7-19/h3-7,10-11,14-18,20,22H,8-9,12-13H2,1-2H3,(H,32,36)(H,33,34,37)/t20-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	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))	BDBM50396251 (CHEMBL2172337) Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(Oc3ccccn3)cc12 |r,wU:9.12,6.5,(19.93,-25.79,;18.42,-25.47,;17.95,-24.01,;17.4,-26.62,;15.89,-26.3,;14.86,-27.45,;15.41,-24.84,;13.9,-24.52,;13.42,-23.06,;14.46,-21.92,;15.96,-22.22,;16.44,-23.69,;13.97,-20.46,;14.88,-19.2,;16.42,-19.19,;17.18,-17.85,;16.4,-16.52,;18.72,-17.84,;19.49,-19.17,;21.03,-19.16,;21.79,-17.82,;23.33,-17.81,;21.01,-16.49,;19.47,-16.5,;13.96,-17.95,;12.48,-18.43,;11.15,-17.67,;9.82,-18.44,;9.82,-19.99,;8.48,-20.75,;7.15,-19.98,;7.15,-18.44,;5.82,-17.67,;4.49,-18.44,;4.49,-19.99,;5.82,-20.75,;11.15,-20.76,;12.49,-19.99,)| Show InChI InChI=1S/C29H30FN5O3/c1-18(2)32-27(36)20-8-12-22(13-9-20)35-25-17-23(38-26-5-3-4-16-31-26)14-15-24(25)33-29(35)34-28(37)19-6-10-21(30)11-7-19/h3-7,10-11,14-18,20,22H,8-9,12-13H2,1-2H3,(H,32,36)(H,33,34,37)/t20-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	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