Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.9 BDBM348873

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))	BDBM348873 (US9790235, Number I-126) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc6CCN(C)Cc56)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H21ClN6O2S/c1-11-9-25-19-18-12-3-6-17(27-14(12)4-5-16(18)33-20(19)21(31)26-11)32-22-13-10-30(2)8-7-15(13)28-23(24)29-22/h3-6,11,25H,7-10H2,1-2H3,(H,26,31)/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	<100	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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