BDBM50389159 CHEMBL2064662

SMILES: COCCN[C@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1

InChI Key: InChIKey=QUTLMJQMDUXAPK-XKXFETGASA-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 = 50389159   

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))	BDBM50389159 (CHEMBL2064662) Show SMILES COCCN[C@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24| Show InChI InChI=1S/C27H35ClN6O3/c1-36-12-11-30-18-7-5-15-6-10-21(24(37-2)19(15)9-8-18)32-27-31-14-20(28)26(34-27)33-23-17-4-3-16(13-17)22(23)25(29)35/h3-4,6,10,14,16-18,22-23,30H,5,7-9,11-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18+,22+,23-/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	21	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio...				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389159 (CHEMBL2064662) Show SMILES COCCN[C@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24| Show InChI InChI=1S/C27H35ClN6O3/c1-36-12-11-30-18-7-5-15-6-10-21(24(37-2)19(15)9-8-18)32-27-31-14-20(28)26(34-27)33-23-17-4-3-16(13-17)22(23)25(29)35/h3-4,6,10,14,16-18,22-23,30H,5,7-9,11-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18+,22+,23-/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	65	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair