BDBM50538477 CHEMBL4633138

SMILES: Cc1ccc(cc1OCCN)C(=O)NCC(O)CN1CCCC1

InChI Key: InChIKey=BMPMBKAHROQBAF-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 = 50538477   

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 (Zika virus)	BDBM50538477 (CHEMBL4633138) Show SMILES Cc1ccc(cc1OCCN)C(=O)NCC(O)CN1CCCC1 Show InChI InChI=1S/C17H27N3O3/c1-13-4-5-14(10-16(13)23-9-6-18)17(22)19-11-15(21)12-20-7-2-3-8-20/h4-5,10,15,21H,2-3,6-9,11-12,18H2,1H3,(H,19,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	2.30E+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 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
Genome polyprotein (West Nile virus)	BDBM50538477 (CHEMBL4633138) Show SMILES Cc1ccc(cc1OCCN)C(=O)NCC(O)CN1CCCC1 Show InChI InChI=1S/C17H27N3O3/c1-13-4-5-14(10-16(13)23-9-6-18)17(22)19-11-15(21)12-20-7-2-3-8-20/h4-5,10,15,21H,2-3,6-9,11-12,18H2,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	2.55E+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 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