BDBM50280068 (Z)-6-((4S,5R)-2,2-Dimethyl-4-pyridazin-4-yl-[1,3]dioxan-5-yl)-hex-4-enoic acid::CHEMBL18325

SMILES: CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccnnc1

InChI Key: InChIKey=LEPXVLMYBFLBQF-SQLJOLKNSA-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 = 50280068   

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))	BDBM50280068 ((Z)-6-((4S,5R)-2,2-Dimethyl-4-pyridazin-4-yl-[1,3]...) Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccnnc1 Show InChI InChI=1S/C16H22N2O4/c1-16(2)21-11-13(6-4-3-5-7-14(19)20)15(22-16)12-8-9-17-18-10-12/h3-4,8-10,13,15H,5-7,11H2,1-2H3,(H,19,20)/b4-3-/t13-,15-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	7.40E+3	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