Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM245223'   

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))	BDBM245223 (US9428500, 17) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1 Show InChI InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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))	BDBM245223 (US9428500, 17) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1 Show InChI InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	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))	BDBM245223 (US9428500, 17) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1 Show InChI InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	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