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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 531.6
BDBM50071129

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50071129
PNG
((Z)-7-{4-[(R)-4-(4-Cyclohexyl-butylcarbamoyl)-4,5-...)
Show SMILES OC(=O)CCCC\C=C(\c1ccc(cc1)C1=N[C@H](CO1)C(=O)NCCCCC1CCCCC1)c1cccnc1 |t:16|
Show InChI InChI=1S/C32H41N3O4/c36-30(37)15-6-2-5-14-28(27-13-9-20-33-22-27)25-16-18-26(19-17-25)32-35-29(23-39-32)31(38)34-21-8-7-12-24-10-3-1-4-11-24/h9,13-14,16-20,22,24,29H,1-8,10-12,15,21,23H2,(H,34,38)(H,36,37)/b28-14-/t29-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2


Bioorg Med Chem Lett 8: 1943-8 (1999)


BindingDB Entry DOI: 10.7270/Q2DB8107
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50071129
PNG
((Z)-7-{4-[(R)-4-(4-Cyclohexyl-butylcarbamoyl)-4,5-...)
Show SMILES OC(=O)CCCC\C=C(\c1ccc(cc1)C1=N[C@H](CO1)C(=O)NCCCCC1CCCCC1)c1cccnc1 |t:16|
Show InChI InChI=1S/C32H41N3O4/c36-30(37)15-6-2-5-14-28(27-13-9-20-33-22-27)25-16-18-26(19-17-25)32-35-29(23-39-32)31(38)34-21-8-7-12-24-10-3-1-4-11-24/h9,13-14,16-20,22,24,29H,1-8,10-12,15,21,23H2,(H,34,38)(H,36,37)/b28-14-/t29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 52n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonism was determined using a human platelet binding assay


Bioorg Med Chem Lett 8: 1943-8 (1999)


BindingDB Entry DOI: 10.7270/Q2DB8107
More data for this
Ligand-Target Pair