null

SMILES: Cn1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C(N)=N

InChI Key: InChIKey=QQICRMPSNHDWIP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50528558   

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
Nonstructural protein 3 (Zika virus)	BDBM50528558 (CHEMBL4448497) Show SMILES Cn1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H23N5/c1-32-24-10-8-18(16-4-2-6-20(12-16)26(28)29)14-22(24)23-15-19(9-11-25(23)32)17-5-3-7-21(13-17)27(30)31/h2-15H,1H3,(H3,28,29)(H3,30,31)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of N-terminal linked Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli Bl21(DE3)...				Eur J Med Chem 180: 536-545 (2019) Article DOI: 10.1016/j.ejmech.2019.07.007
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50528558 (CHEMBL4448497) Show SMILES Cn1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H23N5/c1-32-24-10-8-18(16-4-2-6-20(12-16)26(28)29)14-22(24)23-15-19(9-11-25(23)32)17-5-3-7-21(13-17)27(30)31/h2-15H,1H3,(H3,28,29)(H3,30,31)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Inhibition of N-terminal unlinked Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli Bl21(DE...				Eur J Med Chem 180: 536-545 (2019) Article DOI: 10.1016/j.ejmech.2019.07.007
					More data for this Ligand-Target Pair