BDBM30272 carboline analog, 84

SMILES: CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)N1CCC(CC1)N(C)C

InChI Key: InChIKey=IHMSQEXABKEFCN-UHFFFAOYSA-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 = 30272   

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
MAPK-Activated Protein Kinase 2 (MK2) (Homo sapiens (Human))	BDBM30272 (carboline analog, 84) Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)N1CCC(CC1)N(C)C Show InChI InChI=1S/C24H28N6O3S/c1-13-11-25-22(32)20-19(13)16-10-14(4-5-17(16)26-20)21(31)28-24-27-18(12-34-24)23(33)30-8-6-15(7-9-30)29(2)3/h4-5,10,12-13,15,26H,6-9,11H2,1-3H3,(H,25,32)(H,27,28,31)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 17: 4664-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.101 BindingDB Entry DOI: 10.7270/Q23N21QP
					More data for this Ligand-Target Pair				3D Structure (docked)