BDBM50391303 CHEMBL158576

SMILES CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1

InChI Key InChIKey=AGAXMMPHPXHEAW-YFSTVHLBSA-N

Data  1 IC50  2 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50391303   

TargetThromboxane-A synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50391303(CHEMBL158576)
Show SMILES CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C33H46N2O4/c1-2-3-11-27-19-20-34-24-29(27)28-15-13-26(14-16-28)25-39-31-18-17-30(35-21-8-4-5-9-22-35)33(31)38-23-10-6-7-12-32(36)37/h6,10,13-16,19-20,24,30-31,33H,2-5,7-9,11-12,17-18,21-23,25H2,1H3,(H,36,37)/b10-6-/t30-,31+,33+/m0/s1
Affinity DataIC50: 100nMAssay Description:In vitro TXA2 synthase antagonism through inhibition of collagen induced thromboxane-A2 production in human citrated whole bloodChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50391303(CHEMBL158576)
Show SMILES CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C33H46N2O4/c1-2-3-11-27-19-20-34-24-29(27)28-15-13-26(14-16-28)25-39-31-18-17-30(35-21-8-4-5-9-22-35)33(31)38-23-10-6-7-12-32(36)37/h6,10,13-16,19-20,24,30-31,33H,2-5,7-9,11-12,17-18,21-23,25H2,1H3,(H,36,37)/b10-6-/t30-,31+,33+/m0/s1
Affinity DataKd:  10nMAssay Description:In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced contraction of rat isolated thoracic aortic stripChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetThromboxane A2 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50391303(CHEMBL158576)
Show SMILES CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C33H46N2O4/c1-2-3-11-27-19-20-34-24-29(27)28-15-13-26(14-16-28)25-39-31-18-17-30(35-21-8-4-5-9-22-35)33(31)38-23-10-6-7-12-32(36)37/h6,10,13-16,19-20,24,30-31,33H,2-5,7-9,11-12,17-18,21-23,25H2,1H3,(H,36,37)/b10-6-/t30-,31+,33+/m0/s1
Affinity DataKd:  3.98nMAssay Description:In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article