BDBM50247657 CHEMBL4076401

SMILES: CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1

InChI Key: InChIKey=YOHXZWZAWHDFEX-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 = 50247657   

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
Capsid protein (Hepatitis B virus)	BDBM50247657 (CHEMBL4076401) Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |c:5,16| Show InChI InChI=1S/C21H22ClFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	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 GSC2 (Saccharomyces cerevisiae)	BDBM50247657 (CHEMBL4076401) Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |c:5,16| Show InChI InChI=1S/C21H22ClFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.31E+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