Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.9 BDBM348843

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))	BDBM348843 (US9790235, Number I-96) Show SMILES COCc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r| Show InChI InChI=1S/C21H18ClN5O3S/c1-10-7-23-17-16-12-3-6-15(30-20-11(9-29-2)8-24-21(22)27-20)26-13(12)4-5-14(16)31-18(17)19(28)25-10/h3-6,8,10,23H,7,9H2,1-2H3,(H,25,28)/t10-/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	300	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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