BDBM50159540 CHEMBL3785304

SMILES: CC(C)S(=O)(=O)c1nn(C)cc1Nc1ncnc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)n1

InChI Key: InChIKey=QZTJFPNDINUDKF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50159540   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50159540 (CHEMBL3785304) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1ncnc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)n1 Show InChI InChI=1S/C26H36N8O3S/c1-16(2)38(35,36)24-22(14-34(5)32-24)30-26-28-15-27-25(31-26)29-21-12-17(3)20(13-23(21)37-19-6-7-19)18-8-10-33(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,27,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159540 (CHEMBL3785304) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1ncnc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)n1 Show InChI InChI=1S/C26H36N8O3S/c1-16(2)38(35,36)24-22(14-34(5)32-24)30-26-28-15-27-25(31-26)29-21-12-17(3)20(13-23(21)37-19-6-7-19)18-8-10-33(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,27,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair