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BDBM50110443 CHEMBL423993::ethyl 5-{[1-{3-[6-(2-chlorophenyl)-1-methyl-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-ylmethyl]phenyl}-1-(3-pyridyl)-(E)-methylideneamino]-oxy}-pentanoate

SMILES: CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NCc3nnc(C)n-23)c2ccccc2Cl)c1

InChI Key: InChIKey=YTNHTOWZLCEQAJ-XKKMXDRASA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110443   
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))		BDBM50110443
PNG
(CHEMBL423993 | ethyl 5-{[1-{3-[6-(2-chlorophenyl)-...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NCc3nnc(C)n-23)c2ccccc2Cl)c1 |c:36|
Show InChI InChI=1S/C38H38ClN7O3S/c1-3-48-34(47)15-6-7-19-49-44-36(28-12-9-17-40-21-28)27-11-8-10-26(20-27)23-45-18-16-30-32(24-45)50-38-35(30)37(29-13-4-5-14-31(29)39)41-22-33-43-42-25(2)46(33)38/h4-5,8-14,17,20-21H,3,6-7,15-16,18-19,22-24H2,1-2H3/b44-36+
KEGG

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PC cid
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Similars
PubMed
n/an/a 65n/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