BDBM50368043 CHEMBL1203671

SMILES: CCOC(=O)C1=C(Cn2ccnc2)N=C(Cn2ccnc2)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC

InChI Key: InChIKey=WNMRHTOLQICZGD-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 = 50368043   

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))	BDBM50368043 (CHEMBL1203671) Show SMILES CCOC(=O)C1=C(Cn2ccnc2)N=C(Cn2ccnc2)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:14| Show InChI InChI=1S/C24H24N6O6/c1-3-36-24(32)22-19(13-29-10-8-26-15-29)27-18(12-28-9-7-25-14-28)21(23(31)35-2)20(22)16-5-4-6-17(11-16)30(33)34/h4-11,14-15,20-21H,3,12-13H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research UK Curated by ChEMBL					Assay Description Inhibition of Thromboxane A2 synthase 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