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BDBM50391322 CHEMBL351657

SMILES: OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1

InChI Key: InChIKey=POPJWIHAKVJLHO-KTZMUZOWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50391322   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50391322
PNG
(CHEMBL351657)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H25FN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood


Bioorg Med Chem Lett 1: 699-704 (1991)

More data for this
Ligand-Target Pair