Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50385594'   

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))	BDBM50385594 (CHEMBL2042695) Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18| Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385594 (CHEMBL2042695) Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18| Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair