BDBM50036361 (Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid::CHEMBL445644

SMILES: Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N

InChI Key: InChIKey=ZFOIWGFSCMNLFS-PLNGDYQASA-N

Data: 4 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 4 hits for monomerid = 50036361   

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))	BDBM50036361 ((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...) Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-	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	1.20E+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
Prostaglandin I2 synthase (Homo sapiens (Human))	BDBM50036361 ((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...) Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-	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	1.20E+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))	BDBM50036361 ((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...) Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50036361 ((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...) Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	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