BDBM50353043 CHEMBL1822522

SMILES: COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1

InChI Key: InChIKey=ZCIQMENOTTVELZ-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 = 50353043   

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))	BDBM50353043 (CHEMBL1822522) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1 Show InChI InChI=1S/C28H33N7O3/c1-36-26-6-4-3-5-23(26)25-10-8-22-20-29-28(31-35(22)25)30-24-9-7-21(19-27(24)37-2)32-11-13-33(14-12-32)34-15-17-38-18-16-34/h3-10,19-20H,11-18H2,1-2H3,(H,30,31)	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	85	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))	BDBM50353043 (CHEMBL1822522) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1 Show InChI InChI=1S/C28H33N7O3/c1-36-26-6-4-3-5-23(26)25-10-8-22-20-29-28(31-35(22)25)30-24-9-7-21(19-27(24)37-2)32-11-13-33(14-12-32)34-15-17-38-18-16-34/h3-10,19-20H,11-18H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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))	BDBM50353043 (CHEMBL1822522) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1 Show InChI InChI=1S/C28H33N7O3/c1-36-26-6-4-3-5-23(26)25-10-8-22-20-29-28(31-35(22)25)30-24-9-7-21(19-27(24)37-2)32-11-13-33(14-12-32)34-15-17-38-18-16-34/h3-10,19-20H,11-18H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	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