BDBM50280073 (Z)-6-{(2S,4S,5R)-4-(3-Methyl-3H-imidazol-4-yl)-2-[1-methyl-1-(4-methyl-2-nitro-phenoxy)-ethyl]-[1,3]dioxan-5-yl}-hex-4-enoic acid::CHEMBL278714

SMILES: Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cncn2C)c(c1)[N+]([O-])=O

InChI Key: InChIKey=IDSQFTJASXFWNN-LGJMQFESSA-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 = 50280073   

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))	BDBM50280073 ((Z)-6-{(2S,4S,5R)-4-(3-Methyl-3H-imidazol-4-yl)-2-...) Show SMILES Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cncn2C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H31N3O7/c1-16-10-11-20(18(12-16)27(30)31)34-24(2,3)23-32-14-17(8-6-5-7-9-21(28)29)22(33-23)19-13-25-15-26(19)4/h5-6,10-13,15,17,22-23H,7-9,14H2,1-4H3,(H,28,29)/b6-5-/t17-,22+,23+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Thromboxane A2 synthase				Bioorg Med Chem Lett 2: 1181-1186 (1992) Article DOI: 10.1016/S0960-894X(00)80210-3 BindingDB Entry DOI: 10.7270/Q2SJ1KHD
					More data for this Ligand-Target Pair