BDBM50368042 CHEMBL1203687

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

InChI Key: InChIKey=VRCZVYLPAGZAIP-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 = 50368042   

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))	BDBM50368042 (CHEMBL1203687) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(Cn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:10| Show InChI InChI=1S/C20H20N4O6/c1-12-16(19(25)29-2)17(13-5-4-6-14(9-13)24(27)28)18(20(26)30-3)15(22-12)10-23-8-7-21-11-23/h4-9,11,16-17H,10H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+4	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