Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.3 BDBM4085

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4085 (2,3,8,9-tetrahydroxy-5-[(4-nitrophenyl)methyl]-5,6...) Show SMILES Oc1cc2n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O Show InChI InChI=1S/C20H14N2O7/c23-16-5-12-13-6-17(24)19(26)8-15(13)21(20(27)14(12)7-18(16)25)9-10-1-3-11(4-2-10)22(28)29/h1-8,23-26H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of pp60c-src activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] ...				J Med Chem 37: 2224-31 (1994) Article DOI: 10.1021/jm00040a015 BindingDB Entry DOI: 10.7270/Q27M0648
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM4085 (2,3,8,9-tetrahydroxy-5-[(4-nitrophenyl)methyl]-5,6...) Show SMILES Oc1cc2n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O Show InChI InChI=1S/C20H14N2O7/c23-16-5-12-13-6-17(24)19(26)8-15(13)21(20(27)14(12)7-18(16)25)9-10-1-3-11(4-2-10)22(28)29/h1-8,23-26H,9H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay				J Med Chem 53: 6758-62 (2010) Article DOI: 10.1021/jm1004368 BindingDB Entry DOI: 10.7270/Q2F18ZZ5
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM4085 (2,3,8,9-tetrahydroxy-5-[(4-nitrophenyl)methyl]-5,6...) Show SMILES Oc1cc2n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O Show InChI InChI=1S/C20H14N2O7/c23-16-5-12-13-6-17(24)19(26)8-15(13)21(20(27)14(12)7-18(16)25)9-10-1-3-11(4-2-10)22(28)29/h1-8,23-26H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of PKA activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] label...				J Med Chem 37: 2224-31 (1994) Article DOI: 10.1021/jm00040a015 BindingDB Entry DOI: 10.7270/Q27M0648
					More data for this Ligand-Target Pair