Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.0 BDBM441935

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))	BDBM441935 (US10647694, Example 23) Show SMILES COc1cc(C2CCNCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C#N Show InChI InChI=1S/C26H29ClN6O3S/c1-16(2)37(34,35)24-7-5-4-6-21(24)31-25-20(27)15-30-26(33-25)32-22-12-18(14-28)19(13-23(22)36-3)17-8-10-29-11-9-17/h4-7,12-13,15-17,29H,8-11H2,1-3H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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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