BDBM30265 carboline analog, 77

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

InChI Key: InChIKey=UELBYRDVWSHJKK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 30265   

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))	BDBM30265 (carboline analog, 77) Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCN Show InChI InChI=1S/C19H20N6O3S/c1-9-7-22-18(28)15-14(9)11-6-10(2-3-12(11)23-15)16(26)25-19-24-13(8-29-19)17(27)21-5-4-20/h2-3,6,8-9,23H,4-5,7,20H2,1H3,(H,21,27)(H,22,28)(H,24,25,26)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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)