BDBM50030471 CHEMBL3344305

SMILES: CC(=O)N1N=C(OC1c1ccc(cc1)C(O)=O)c1cc(nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=KDEDOODADMIALK-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50030471   

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)	BDBM50030471 (CHEMBL3344305) Show SMILES CC(=O)N1N=C(OC1c1ccc(cc1)C(O)=O)c1cc(nc2ccccc12)-c1ccccc1 |c:4| Show InChI InChI=1S/C26H19N3O4/c1-16(30)29-25(18-11-13-19(14-12-18)26(31)32)33-24(28-29)21-15-23(17-7-3-2-4-8-17)27-22-10-6-5-9-20(21)22/h2-15,25H,1H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030471 (CHEMBL3344305) Show SMILES CC(=O)N1N=C(OC1c1ccc(cc1)C(O)=O)c1cc(nc2ccccc12)-c1ccccc1 |c:4| Show InChI InChI=1S/C26H19N3O4/c1-16(30)29-25(18-11-13-19(14-12-18)26(31)32)33-24(28-29)21-15-23(17-7-3-2-4-8-17)27-22-10-6-5-9-20(21)22/h2-15,25H,1H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair