BDBM50393625 CHEMBL2158521

SMILES: COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

InChI Key: InChIKey=ABDKJOVFIDLNSS-IBGZPJMESA-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 = 50393625   

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 (Homo sapiens (Human))	BDBM50393625 (CHEMBL2158521) Show SMILES COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 |r| Show InChI InChI=1S/C28H34FN7O4S/c1-19(37)18-34-11-13-35(14-12-34)26-16-27(40-3)23(15-22(26)29)31-28-30-17-20-9-10-25(36(20)32-28)21-7-5-6-8-24(21)33(2)41(4,38)39/h5-10,15-17,19,37H,11-14,18H2,1-4H3,(H,31,32)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50393625 (CHEMBL2158521) Show SMILES COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 |r| Show InChI InChI=1S/C28H34FN7O4S/c1-19(37)18-34-11-13-35(14-12-34)26-16-27(40-3)23(15-22(26)29)31-28-30-17-20-9-10-25(36(20)32-28)21-7-5-6-8-24(21)33(2)41(4,38)39/h5-10,15-17,19,37H,11-14,18H2,1-4H3,(H,31,32)/t19-/m0/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	200	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