BDBM50499120 CHEMBL3735452

SMILES: [H][C@@]12CN(C[C@]1([H])C2CO)C(=O)Nc1cc2c(cc1CC)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C

InChI Key: InChIKey=JJJLEQQPLIIXBW-YOFSQIOKSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50499120   

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))	BDBM50499120 (CHEMBL3735452) Show SMILES [H][C@@]12CN(C[C@]1([H])C2CO)C(=O)Nc1cc2c(cc1CC)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C |r| Show InChI InChI=1S/C28H28N4O3/c1-4-15-8-17-21(9-22(15)31-27(35)32-11-18-19(12-32)20(18)13-33)28(2,3)26-24(25(17)34)16-6-5-14(10-29)7-23(16)30-26/h5-9,18-20,30,33H,4,11-13H2,1-3H3,(H,31,35)/t18-,19+,20?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015) Article DOI: 10.1016/j.ejmech.2015.10.005 BindingDB Entry DOI: 10.7270/Q2BV7KM3
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