BDBM50309190 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE::2-Amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-(2-(dimethylamino)ethyl)nicotinamide::CHEMBL598973

SMILES: CN(C)CCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12

InChI Key: InChIKey=XGNFTBBPLXKQQH-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50309190   

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
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human))	BDBM50309190 (2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-Y...) Show SMILES CN(C)CCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12 Show InChI InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK2 in human HT29 cells				Bioorg Med Chem 18: 707-18 (2010) Article DOI: 10.1016/j.bmc.2009.11.058 BindingDB Entry DOI: 10.7270/Q26974J2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50309190 (2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-Y...) Show SMILES CN(C)CCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12 Show InChI InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 by DELFIA assay				Bioorg Med Chem 18: 707-18 (2010) Article DOI: 10.1016/j.bmc.2009.11.058 BindingDB Entry DOI: 10.7270/Q26974J2
					More data for this Ligand-Target Pair