Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.5 BDBM348760

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348760 (US9790235, Number I-12) Show SMILES CCOC(=O)c1cnc(SC)nc1Nc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r| Show InChI InChI=1S/C23H22N6O3S2/c1-4-32-22(31)13-10-25-23(33-3)29-20(13)28-16-8-5-12-14(27-16)6-7-15-17(12)18-19(34-15)21(30)26-11(2)9-24-18/h5-8,10-11,24H,4,9H2,1-3H3,(H,26,30)(H,25,27,28,29)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
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