BDBM50433762 CHEMBL2381612

SMILES: N[C@H]1CC[C@@H](CC1)Nc1cnc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=DJXPMLBJIXXVFI-HDJSIYSDSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433762   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50433762 (CHEMBL2381612) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cnc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(38,-12.55,;39.33,-13.32,;39.33,-14.87,;40.67,-15.64,;41.99,-14.86,;41.99,-13.32,;40.67,-12.56,;43.33,-15.63,;43.34,-17.17,;42.01,-17.94,;42,-19.48,;43.34,-20.25,;43.34,-21.79,;42.01,-22.56,;44.67,-22.56,;44.68,-19.47,;46.15,-19.94,;47.05,-18.69,;46.13,-17.45,;44.67,-17.93,;48.59,-18.68,;49.36,-20.01,;50.9,-20,;51.66,-18.66,;53.2,-18.65,;50.88,-17.33,;49.34,-17.34,)| Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)16-10-26-18(25-16)15(9-23-19(26)17(22)27)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14,24H,5-8,21H2,(H2,22,27)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair