Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor [L1196M]' and Ligand = 'BDBM245240'   

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 [L1196M] (Homo sapiens (Human))	BDBM245240 (US9428500, 34 | US9428500, 35) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1 Show InChI InChI=1S/C28H26N6O2/c1-32-14-16-33(17-15-32)21-9-6-19(7-10-21)20-8-11-23-22(18-20)27-25(12-13-29-28(27)31-23)30-24-4-2-3-5-26(24)34(35)36/h2-13,18H,14-17H2,1H3,(H2,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	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
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM245240 (US9428500, 34 | US9428500, 35) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1 Show InChI InChI=1S/C28H26N6O2/c1-32-14-16-33(17-15-32)21-9-6-19(7-10-21)20-8-11-23-22(18-20)27-25(12-13-29-28(27)31-23)30-24-4-2-3-5-26(24)34(35)36/h2-13,18H,14-17H2,1H3,(H2,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+3	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