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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 = 'BDBM50034761'   
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))		BDBM50034761
PNG
((E)-7-[4-(2-{2-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCOc2ccccc2[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C42H45NO9/c44-37-17-9-7-15-35(37)41-32(12-3-1-5-19-39(45)46)29-51-42(52-41)36-16-8-10-18-38(36)50-27-26-49-33-23-21-30(22-24-33)34(31-13-11-25-43-28-31)14-4-2-6-20-40(47)48/h1,3,7-11,13-18,21-25,28,32,41-42,44H,2,4-6,12,19-20,26-27,29H2,(H,45,46)(H,47,48)/b3-1-,34-14+/t32-,41+,42+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 30n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.

J Med Chem 38: 1608-28 (1995)


BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair