Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 398.4 BDBM50036374

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

Found 2 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
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036374 ((Z)-6-[2-(4-Nitro-phenyl)-4-pyridin-3-yl-[1,3]diox...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H22N2O6/c24-19(25)7-3-1-2-5-17-14-28-21(15-8-10-18(11-9-15)23(26)27)29-20(17)16-6-4-12-22-13-16/h1-2,4,6,8-13,17,20-21H,3,5,7,14H2,(H,24,25)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Prostacyclin synthase (Homo sapiens (Human))	BDBM50036374 ((Z)-6-[2-(4-Nitro-phenyl)-4-pyridin-3-yl-[1,3]diox...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H22N2O6/c24-19(25)7-3-1-2-5-17-14-28-21(15-8-10-18(11-9-15)23(26)27)29-20(17)16-6-4-12-22-13-16/h1-2,4,6,8-13,17,20-21H,3,5,7,14H2,(H,24,25)/b2-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair