Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50396246'   

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))	BDBM50396246 (CHEMBL2172305) Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(O)=O)cc12 |r,wU:9.12,6.5,(45.25,-54.5,;43.75,-54.18,;43.27,-52.72,;42.72,-55.33,;41.21,-55.01,;40.18,-56.15,;40.73,-53.54,;39.23,-53.23,;38.75,-51.77,;39.78,-50.62,;41.28,-50.93,;41.76,-52.4,;39.3,-49.16,;40.2,-47.9,;41.74,-47.89,;42.5,-46.55,;41.72,-45.23,;44.04,-46.55,;44.82,-47.87,;46.35,-47.87,;47.12,-46.53,;48.66,-46.51,;46.33,-45.19,;44.8,-45.21,;39.28,-46.65,;37.81,-47.14,;36.47,-46.38,;35.14,-47.15,;35.14,-48.69,;33.81,-49.46,;32.47,-48.69,;32.47,-47.15,;31.15,-46.38,;29.81,-47.14,;29.81,-48.68,;31.14,-49.46,;28.48,-46.36,;28.48,-44.82,;27.14,-47.13,;36.48,-49.46,;37.82,-48.69,)| Show InChI InChI=1S/C31H38FN5O4/c1-19(2)33-28(38)22-6-10-25(11-7-22)37-27-17-20(18-36-15-13-23(14-16-36)30(40)41)3-12-26(27)34-31(37)35-29(39)21-4-8-24(32)9-5-21/h3-5,8-9,12,17,19,22-23,25H,6-7,10-11,13-16,18H2,1-2H3,(H,33,38)(H,40,41)(H,34,35,39)/t22-,25+	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))	BDBM50396246 (CHEMBL2172305) Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(O)=O)cc12 |r,wU:9.12,6.5,(45.25,-54.5,;43.75,-54.18,;43.27,-52.72,;42.72,-55.33,;41.21,-55.01,;40.18,-56.15,;40.73,-53.54,;39.23,-53.23,;38.75,-51.77,;39.78,-50.62,;41.28,-50.93,;41.76,-52.4,;39.3,-49.16,;40.2,-47.9,;41.74,-47.89,;42.5,-46.55,;41.72,-45.23,;44.04,-46.55,;44.82,-47.87,;46.35,-47.87,;47.12,-46.53,;48.66,-46.51,;46.33,-45.19,;44.8,-45.21,;39.28,-46.65,;37.81,-47.14,;36.47,-46.38,;35.14,-47.15,;35.14,-48.69,;33.81,-49.46,;32.47,-48.69,;32.47,-47.15,;31.15,-46.38,;29.81,-47.14,;29.81,-48.68,;31.14,-49.46,;28.48,-46.36,;28.48,-44.82,;27.14,-47.13,;36.48,-49.46,;37.82,-48.69,)| Show InChI InChI=1S/C31H38FN5O4/c1-19(2)33-28(38)22-6-10-25(11-7-22)37-27-17-20(18-36-15-13-23(14-16-36)30(40)41)3-12-26(27)34-31(37)35-29(39)21-4-8-24(32)9-5-21/h3-5,8-9,12,17,19,22-23,25H,6-7,10-11,13-16,18H2,1-2H3,(H,33,38)(H,40,41)(H,34,35,39)/t22-,25+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	345	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