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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50037731'   
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))		BDBM50037731
PNG
(5-[1-Cyclohexyl-2-imidazol-1-yl-3-pyrazin-2-yl-pro...)
Show SMILES OC(=O)CCCCO\N=C(\C(Cc1cnccn1)n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C21H29N5O3/c27-20(28)8-4-5-13-29-25-21(17-6-2-1-3-7-17)19(26-12-11-23-16-26)14-18-15-22-9-10-24-18/h9-12,15-17,19H,1-8,13-14H2,(H,27,28)/b25-21+
PDB

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PC cid
PC sid
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PubMed
n/an/a 190n/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