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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM50283053'   
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


(Homo sapiens (Human))		BDBM50283053
PNG
((Z)-7-[(2R,3R,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...)
Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CO[C@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against thromboxane synthase

Bioorg Med Chem Lett 4: 2073-2076 (1994)


Article DOI: 10.1016/S0960-894X(01)80104-9
BindingDB Entry DOI: 10.7270/Q2C53KS7
More data for this
Ligand-Target Pair