Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 618.7 BDBM441936

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM441936 (US10647694, Example 24) Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C32H42N8O3S/c1-22(2)44(41,42)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)43-4)39-15-12-23(13-16-39)40-19-17-38(3)18-20-40/h5-11,14,21-23H,12-13,15-20H2,1-4H3,(H3,33,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
ARROMAX PHARMATECH CO., LTD. US Patent					Assay Description The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...				US Patent US10647694 (2020) BindingDB Entry DOI: 10.7270/Q2H13518
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