BDBM33252 phthalazine-based compound, 3

SMILES: C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1

InChI Key: InChIKey=KXZYDMCZMIXCEE-UHFFFAOYSA-N

Data: 5 IC50  2 Kd

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 5 hits for monomerid = 33252   

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
Dengue Virus 1 (DENV1) NS2B-NS3 Protease (Dengue virus 1(Hawaii))	BDBM33252 (phthalazine-based compound, 3) Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28| Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Dengue Virus 2 (DENV2) NS2B-NS3 Protease (Dengue virus 2 (strain TSV01))	BDBM33252 (phthalazine-based compound, 3) Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28| Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	7.70E+3	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Dengue Virus 4 (DENV4) NS2B-NS3 Protease (Dengue virus 4 (H241))	BDBM33252 (phthalazine-based compound, 3) Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28| Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	MMDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Dengue Virus 3 (DENV3) NS2B-NS3 Protease (Dengue virus 3 (strain S221/03))	BDBM33252 (phthalazine-based compound, 3) Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28| Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	PDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease (West Nile virus (WNV))	BDBM33252 (phthalazine-based compound, 3) Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28| Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	9.00E+4	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair