BDBM50538478 CHEMBL4634219

SMILES: COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1

InChI Key: InChIKey=DIAFMCNSNKUJTF-UHFFFAOYSA-N

Data: 2 KI

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 = 50538478   

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
Genome polyprotein (West Nile virus)	BDBM50538478 (CHEMBL4634219) Show SMILES COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1 Show InChI InChI=1S/C19H30N2O5/c1-25-19-8-14(9-21-10-16(23)11-21)2-3-18(19)26-13-17(24)12-20-6-4-15(22)5-7-20/h2-3,8,15-17,22-24H,4-7,9-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged West Nile virus NS2B (52 to 96 residues)-G4SG4-NS3 (1 to 184 residues) expressed in Escherichia coli BL21(DE3) c...				ACS Med Chem Lett 11: 514-520 (2020)
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50538478 (CHEMBL4634219) Show SMILES COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1 Show InChI InChI=1S/C19H30N2O5/c1-25-19-8-14(9-21-10-16(23)11-21)2-3-18(19)26-13-17(24)12-20-6-4-15(22)5-7-20/h2-3,8,15-17,22-24H,4-7,9-13H2,1H3	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and meas...				ACS Med Chem Lett 11: 514-520 (2020)
					More data for this Ligand-Target Pair