BDBM50393610 CHEMBL2158527

SMILES: COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1

InChI Key: InChIKey=FXEXWMOKUBELTG-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 = 50393610   

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/Nucleophosmin (Homo sapiens (Human))	BDBM50393610 (CHEMBL2158527) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1 Show InChI InChI=1S/C26H30N6O3S/c1-31(36(3,33)34)23-7-5-4-6-21(23)24-11-9-20-17-28-26(30-32(20)24)29-22-10-8-19(16-25(22)35-2)18-12-14-27-15-13-18/h4-11,16-18,27H,12-15H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393610 (CHEMBL2158527) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1 Show InChI InChI=1S/C26H30N6O3S/c1-31(36(3,33)34)23-7-5-4-6-21(23)24-11-9-20-17-28-26(30-32(20)24)29-22-10-8-19(16-25(22)35-2)18-12-14-27-15-13-18/h4-11,16-18,27H,12-15H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair