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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50002770'   
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 A2 receptor


(Homo sapiens (Human))
BDBM50002770
PNG
(11-[2-(3-Benzyl-thioureido)-ethylsulfanyl]-6,11-di...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=S)NCc3ccccc3)c2c1
Show InChI InChI=1S/C25H24N2O3S2/c28-24(29)18-10-11-22-21(14-18)23(20-9-5-4-8-19(20)16-30-22)32-13-12-26-25(31)27-15-17-6-2-1-3-7-17/h1-11,14,23H,12-13,15-16H2,(H,28,29)(H2,26,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002770
PNG
(11-[2-(3-Benzyl-thioureido)-ethylsulfanyl]-6,11-di...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=S)NCc3ccccc3)c2c1
Show InChI InChI=1S/C25H24N2O3S2/c28-24(29)18-10-11-22-21(14-18)23(20-9-5-4-8-19(20)16-30-22)32-13-12-26-25(31)27-15-17-6-2-1-3-7-17/h1-11,14,23H,12-13,15-16H2,(H,28,29)(H2,26,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair