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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.5
BDBM50037748

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


(Rattus norvegicus)
BDBM50037748
PNG
(5-[2-Imidazol-1-yl-1,3-diphenyl-prop-(E)-ylideneam...)
Show SMILES CC(C)(CCCO\N=C(\C(Cc1ccccc1)n1ccnc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H29N3O3/c1-25(2,24(29)30)14-9-17-31-27-23(21-12-7-4-8-13-21)22(28-16-15-26-19-28)18-20-10-5-3-6-11-20/h3-8,10-13,15-16,19,22H,9,14,17-18H2,1-2H3,(H,29,30)/b27-23+
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 760n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)


BindingDB Entry DOI: 10.7270/Q2C24VFD
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50037748
PNG
(5-[2-Imidazol-1-yl-1,3-diphenyl-prop-(E)-ylideneam...)
Show SMILES CC(C)(CCCO\N=C(\C(Cc1ccccc1)n1ccnc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H29N3O3/c1-25(2,24(29)30)14-9-17-31-27-23(21-12-7-4-8-13-21)22(28-16-15-26-19-28)18-20-10-5-3-6-11-20/h3-8,10-13,15-16,19,22H,9,14,17-18H2,1-2H3,(H,29,30)/b27-23+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.16E+3n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets


J Med Chem 37: 3588-604 (1994)


BindingDB Entry DOI: 10.7270/Q2C24VFD
More data for this
Ligand-Target Pair