BDBM50036368 (Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid::CHEMBL346590

SMILES: CC(C)(Cc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1

InChI Key: InChIKey=XYUJBPXTBCBGMX-DAXSKMNVSA-N

Data: 2 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 2 hits for monomerid = 50036368   

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
Prostaglandin I2 synthase (Homo sapiens (Human))	BDBM50036368 ((Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3...) Show SMILES CC(C)(Cc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H31NO4/c1-25(2,16-19-10-5-3-6-11-19)24-29-18-21(12-7-4-8-14-22(27)28)23(30-24)20-13-9-15-26-17-20/h3-7,9-11,13,15,17,21,23-24H,8,12,14,16,18H2,1-2H3,(H,27,28)/b7-4-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50036368 ((Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3...) Show SMILES CC(C)(Cc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H31NO4/c1-25(2,16-19-10-5-3-6-11-19)24-29-18-21(12-7-4-8-14-22(27)28)23(30-24)20-13-9-15-26-17-20/h3-7,9-11,13,15,17,21,23-24H,8,12,14,16,18H2,1-2H3,(H,27,28)/b7-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair