BDBM50200538 CHEMBL3934754

SMILES: CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC(O)(CCC(O)=O)CC(O)=O)CC1

InChI Key: InChIKey=IKCNXELGKBGLML-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50200538   

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))	BDBM50200538 (CHEMBL3934754) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC(O)(CCC(O)=O)CC(O)=O)CC1 Show InChI InChI=1S/C32H36N4O6/c1-4-20-14-22-23(31(2,3)30-28(29(22)41)21-6-5-19(17-33)13-24(21)34-30)15-25(20)36-11-9-35(10-12-36)18-32(42,16-27(39)40)8-7-26(37)38/h5-6,13-15,34,42H,4,7-12,16,18H2,1-3H3,(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Ocean University of China Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA				Bioorg Med Chem Lett 26: 5399-5402 (2016) Article DOI: 10.1016/j.bmcl.2016.10.039 BindingDB Entry DOI: 10.7270/Q22809JW
					More data for this Ligand-Target Pair