BDBM50481413 CHEMBL598786::ZINC 01138375

SMILES: COc1cc(\C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(O)=O

InChI Key: InChIKey=DPLIRFKSBJFEEF-PFJSLNBISA-N

Data: 2 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 = 50481413   

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 type 2)	BDBM50481413 (CHEMBL598786 | ZINC 01138375) Show SMILES COc1cc(\C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(O)=O |r| Show InChI InChI=1S/C21H18Cl2N2O6/c1-11(20(27)28)31-17-6-3-12(8-18(17)30-2)7-16-19(26)25(21(29)24-16)10-13-4-5-14(22)9-15(13)23/h3-9,11H,10H2,1-2H3,(H,24,29)(H,27,28)/b16-7+/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site with 0.1 % TX100				J Med Chem 53: 1483-95 (2010) Article DOI: 10.1021/jm900776m BindingDB Entry DOI: 10.7270/Q2ST7SNQ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus type 2)	BDBM50481413 (CHEMBL598786 | ZINC 01138375) Show SMILES COc1cc(\C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(O)=O |r| Show InChI InChI=1S/C21H18Cl2N2O6/c1-11(20(27)28)31-17-6-3-12(8-18(17)30-2)7-16-19(26)25(21(29)24-16)10-13-4-5-14(22)9-15(13)23/h3-9,11H,10H2,1-2H3,(H,24,29)(H,27,28)/b16-7+/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site				J Med Chem 53: 1483-95 (2010) Article DOI: 10.1021/jm900776m BindingDB Entry DOI: 10.7270/Q2ST7SNQ
					More data for this Ligand-Target Pair