Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50525829'   

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))	BDBM50525829 (CHEMBL4546844) Show SMILES COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H28ClN7O4/c1-15(35)29-20-5-3-4-6-21(20)32-24-19(27)14-28-25(34-24)33-22-12-9-17(13-23(22)38-2)31-26(37)30-16-7-10-18(36)11-8-16/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,29,35)(H2,30,31,37)(H2,28,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525829 (CHEMBL4546844) Show SMILES COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H28ClN7O4/c1-15(35)29-20-5-3-4-6-21(20)32-24-19(27)14-28-25(34-24)33-22-12-9-17(13-23(22)38-2)31-26(37)30-16-7-10-18(36)11-8-16/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,29,35)(H2,30,31,37)(H2,28,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525829 (CHEMBL4546844) Show SMILES COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H28ClN7O4/c1-15(35)29-20-5-3-4-6-21(20)32-24-19(27)14-28-25(34-24)33-22-12-9-17(13-23(22)38-2)31-26(37)30-16-7-10-18(36)11-8-16/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,29,35)(H2,30,31,37)(H2,28,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain G1202R mutant using srctide as substrate incubat...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair