BDBM50513213 CHEMBL3344303

SMILES: NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1

InChI Key: InChIKey=JXJBQAMLLCEHTI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50513213   

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)	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+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 His-tagged NS2B cofactor domain-NS3 protease expressed in Escherichia coli using 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-N...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2/Trypsin-3 (Homo sapiens (Human))	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025
					More data for this Ligand-Target Pair