BDBM50393623 CHEMBL2158513

SMILES: COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1

InChI Key: InChIKey=MOWRRSWYFUOCAR-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 = 50393623   

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
Insulin receptor (Homo sapiens (Human))	BDBM50393623 (CHEMBL2158513) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H27N7O2/c1-36-25-14-19(18-10-12-33(13-11-18)17-26(29)35)6-8-23(25)31-27-30-16-21-7-9-24(34(21)32-27)22-5-3-2-4-20(22)15-28/h2-9,14,16,18H,10-13,17H2,1H3,(H2,29,35)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	747	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 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))	BDBM50393623 (CHEMBL2158513) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H27N7O2/c1-36-25-14-19(18-10-12-33(13-11-18)17-26(29)35)6-8-23(25)31-27-30-16-21-7-9-24(34(21)32-27)22-5-3-2-4-20(22)15-28/h2-9,14,16,18H,10-13,17H2,1H3,(H2,29,35)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50393623 (CHEMBL2158513) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H27N7O2/c1-36-25-14-19(18-10-12-33(13-11-18)17-26(29)35)6-8-23(25)31-27-30-16-21-7-9-24(34(21)32-27)22-5-3-2-4-20(22)15-28/h2-9,14,16,18H,10-13,17H2,1H3,(H2,29,35)(H,31,32)	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	250	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