BDBM50314422 3-amino-4-(1-methyl-1H-pyrrol-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide::CHEMBL1092378

SMILES: Cn1cccc1-c1c2CCCCCCc2nc2sc(C(N)=O)c(N)c12

InChI Key: InChIKey=UZACPKHFWKSDSU-UHFFFAOYSA-N

Data: 1 IC50

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 = 50314422   

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
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM50314422 (3-amino-4-(1-methyl-1H-pyrrol-2-yl)-5,6,7,8,9,10-h...) Show SMILES Cn1cccc1-c1c2CCCCCCc2nc2sc(C(N)=O)c(N)c12 |(14.66,-10.94,;16.12,-10.46,;16.59,-8.99,;18.13,-8.99,;18.61,-10.46,;17.37,-11.36,;17.38,-12.9,;16.05,-13.67,;14.96,-12.58,;13.42,-12.58,;12.33,-13.67,;12.33,-15.21,;13.42,-16.3,;14.96,-16.3,;16.04,-15.21,;17.37,-15.98,;18.7,-15.22,;20.18,-15.7,;21.1,-14.45,;22.64,-14.46,;23.41,-13.12,;23.4,-15.79,;20.19,-13.19,;20.67,-11.73,;18.71,-13.67,)| Show InChI InChI=1S/C19H22N4OS/c1-23-10-6-9-13(23)14-11-7-4-2-3-5-8-12(11)22-19-15(14)16(20)17(25-19)18(21)24/h6,9-10H,2-5,7-8,20H2,1H3,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Myriad Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method				Bioorg Med Chem Lett 20: 2283-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.005 BindingDB Entry DOI: 10.7270/Q2F18ZVT
					More data for this Ligand-Target Pair