Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM245217'   

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))	BDBM245217 (US9428500, 11) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1 Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b7-6+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114488 BindingDB Entry DOI: 10.7270/Q26Q228W
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM245217 (US9428500, 11) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1 Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b7-6+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114488 BindingDB Entry DOI: 10.7270/Q26Q228W
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM245217 (US9428500, 11) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1 Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b7-6+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.5	30
UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON US Patent					Assay Description GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...				US Patent US9428500 (2016) BindingDB Entry DOI: 10.7270/Q2CR5S8M
					More data for this Ligand-Target Pair