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BDBM50110450 6-(2-Chlorophenyl)-3-[3-[(E/Z)-6-ethoxycarbonyl-1-(3-pyridyl)-1-hexenyl]phenylmethyl]-8,11-dimethyl-2,3,4,5-tetrahydro-8H-pyrido[4',3':4,5]-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine::CHEMBL354662

SMILES: CCOC(=O)CCCC\C=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1

InChI Key: InChIKey=YAFPSVKRAMYDBE-IBBHUPRXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110450   
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))		BDBM50110450
PNG
(6-(2-Chlorophenyl)-3-[3-[(E/Z)-6-ethoxycarbonyl-1-...)
Show SMILES CCOC(=O)CCCC\C=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:35|
Show InChI InChI=1S/C40H41ClN6O2S/c1-4-49-36(48)18-7-5-6-15-31(30-14-11-20-42-23-30)29-13-10-12-28(22-29)24-46-21-19-33-35(25-46)50-40-37(33)38(32-16-8-9-17-34(32)41)43-26(2)39-45-44-27(3)47(39)40/h8-17,20,22-23,26H,4-7,18-19,21,24-25H2,1-3H3/b31-15+
KEGG

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Similars
PubMed
n/an/a 68n/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