BDBM50247800 CHEMBL4068707

SMILES: CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1

InChI Key: InChIKey=MGPACXDLGFBCJB-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50247800   

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
Core antigen (Hepatitis B virus)	BDBM50247800 (CHEMBL4068707) Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1 |c:5,16| Show InChI InChI=1S/C22H24BrFN4O4S/c1-3-32-22(29)18-16(12-28-6-8-31-9-7-28)26-20(21-25-11-17(30-2)33-21)27-19(18)14-5-4-13(24)10-15(14)23/h4-5,10-11,19H,3,6-9,12H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.64E+4	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...				Bioorg Med Chem 25: 1042-1056 (2017) Article DOI: 10.1016/j.bmc.2016.12.017 BindingDB Entry DOI: 10.7270/Q2ZC85F1
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50247800 (CHEMBL4068707) Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1 |c:5,16| Show InChI InChI=1S/C22H24BrFN4O4S/c1-3-32-22(29)18-16(12-28-6-8-31-9-7-28)26-20(21-25-11-17(30-2)33-21)27-19(18)14-5-4-13(24)10-15(14)23/h4-5,10-11,19H,3,6-9,12H2,1-2H3,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
HEC Pharma Group Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay				J Med Chem 61: 1355-1374 (2018) BindingDB Entry DOI: 10.7270/Q2XS5XS9
					More data for this Ligand-Target Pair