BDBM50026795 CHEMBL3335505

SMILES: NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)NC(CC#C)C(N)=O

InChI Key: InChIKey=PDLGUDPMPOPOEA-MNNMKWMVSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50026795   

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 (Dengue virus 2)	BDBM50026795 (CHEMBL3335505) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)NC(CC#C)C(N)=O |r| Show InChI InChI=1S/C24H36N8O4/c1-2-9-17(20(26)33)30-22(35)18(12-6-7-14-25)32-23(36)19(13-8-15-29-24(27)28)31-21(34)16-10-4-3-5-11-16/h1,3-5,10-11,17-19H,6-9,12-15,25H2,(H2,26,33)(H,30,35)(H,31,34)(H,32,36)(H4,27,28,29)/t17?,18-,19-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease by homogeneous fluorimetric assay				ACS Med Chem Lett 5: 1037-42 (2014) Article DOI: 10.1021/ml500245v BindingDB Entry DOI: 10.7270/Q2028T42
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