BDBM50393618 CHEMBL2158528

SMILES: COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1

InChI Key: InChIKey=YNWRFXIHAOGUAM-LJQANCHMSA-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 = 50393618   

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))	BDBM50393618 (CHEMBL2158528) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/m1/s1	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	100	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))	BDBM50393618 (CHEMBL2158528) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	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