BDBM33256 phthalazine-based compound, 7

SMILES: COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1

InChI Key: InChIKey=KDFXLJZVCARJRK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 33256   

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))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+3	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))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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 3 (DENV3) NS2B-NS3 Protease (Dengue virus 3 (strain S221/03))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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
Dengue Virus 4 (DENV4) NS2B-NS3 Protease (Dengue virus 4 (H241))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	MMDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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