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BDBM50110457 CHEMBL349982::ethyl 5-{[1-(4-{2-[6-(2-chlorophenyl)-1,4-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]-2-oxoethoxymethyl}phenyl)-1-(3-pyridyl)-(E)-methylideneamino]-oxy}-pentanoate

SMILES: CCOC(=O)CCCCO\N=C(/c1ccc(COCC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)cc1)c1cccnc1

InChI Key: InChIKey=ZEBAPLYBEXTAPK-GSZZHRNKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110457   
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))		BDBM50110457
PNG
(CHEMBL349982 | ethyl 5-{[1-(4-{2-[6-(2-chloropheny...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(COCC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)cc1)c1cccnc1 |c:32|
Show InChI InChI=1S/C41H42ClN7O5S/c1-4-53-36(51)13-7-8-21-54-47-38(30-10-9-19-43-22-30)29-16-14-28(15-17-29)24-52-25-35(50)48-20-18-32-34(23-48)55-41-37(32)39(31-11-5-6-12-33(31)42)44-26(2)40-46-45-27(3)49(40)41/h5-6,9-12,14-17,19,22,26H,4,7-8,13,18,20-21,23-25H2,1-3H3/b47-38+
KEGG

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Similars
PubMed
n/an/a 58n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]

Bioorg Med Chem Lett 12: 771-4 (2002)


BindingDB Entry DOI: 10.7270/Q23X85ZH
More data for this
Ligand-Target Pair