BDBM50353048 CHEMBL1822527

SMILES: COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1

InChI Key: InChIKey=HCQWDCIGBDDWLZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50353048   

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))	BDBM50353048 (CHEMBL1822527) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,32,33)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50353048 (CHEMBL1822527) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50353048 (CHEMBL1822527) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	809	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of IR				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
					More data for this Ligand-Target Pair