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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 = 'BDBM50047301'   
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))		BDBM50047301
PNG
(CHEMBL280786 | [3-(2-{3-[4-(4-Cyclohexyl-butylcarb...)
Show SMILES OC(=O)Cc1cccc(CCC2C3CCC(O3)C2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |TLB:10:11:16:14.13,THB:18:17:16:14.13|
Show InChI InChI=1S/C30H40N2O5/c33-27(34)18-22-11-6-10-21(17-22)12-13-23-25-14-15-26(37-25)28(23)30-32-24(19-36-30)29(35)31-16-5-4-9-20-7-2-1-3-8-20/h6,10-11,17,19-20,23,25-26,28H,1-5,7-9,12-16,18H2,(H,31,35)(H,33,34)
PDB

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PC cid
PC sid
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Similars
PubMed
n/an/an/a 16n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand

J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair