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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 = 'BDBM50037745'   
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))		BDBM50037745
PNG
(5-[1-Cyclohexyl-3-furan-2-yl-2-imidazol-1-yl-prop-...)
Show SMILES OC(=O)CCCCO\N=C(\C(Cc1ccco1)n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)10-4-5-14-28-23-21(17-7-2-1-3-8-17)19(24-12-11-22-16-24)15-18-9-6-13-27-18/h6,9,11-13,16-17,19H,1-5,7-8,10,14-15H2,(H,25,26)/b23-21+
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 280n/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