BDBM50368036 CHEMBL1203682

SMILES: CCOC(=O)C1C(C(C(=O)OCC)=C(Cn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=IEITXLTZEVWICD-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50368036   

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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50368036 (CHEMBL1203682) Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(Cn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:12| Show InChI InChI=1S/C22H24N4O6/c1-4-31-21(27)18-14(3)24-17(12-25-10-9-23-13-25)20(22(28)32-5-2)19(18)15-7-6-8-16(11-15)26(29)30/h6-11,13,18-19H,4-5,12H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research UK Curated by ChEMBL					Assay Description Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg				J Med Chem 33: 646-52 (1990) BindingDB Entry DOI: 10.7270/Q25X29HP
					More data for this Ligand-Target Pair