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BDBM50003801 4-(3-Pyridin-3-yl-propyl)-8-(4-trifluoromethyl-benzenesulfonylamino)-octanoic acid::CHEMBL139372

SMILES: OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CCCc1cccnc1

InChI Key: InChIKey=ZELQCTQPUZUIFX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003801   
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))		BDBM50003801
PNG
(4-(3-Pyridin-3-yl-propyl)-8-(4-trifluoromethyl-ben...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CCCc1cccnc1
Show InChI InChI=1S/C23H29F3N2O4S/c24-23(25,26)20-10-12-21(13-11-20)33(31,32)28-16-2-1-5-18(9-14-22(29)30)6-3-7-19-8-4-15-27-17-19/h4,8,10-13,15,17-18,28H,1-3,5-7,9,14,16H2,(H,29,30)
KEGG

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PubMed
n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase

J Med Chem 35: 4373-83 (1992)


BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair