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BDBM50110447 CHEMBL352120::ethyl 5-{[1-(3-{4-[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]butyl}phenyl)-1-(3-pyridyl)-(E)-methylideneamino]-oxy}-pentanoate

SMILES: CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CCCCN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1

InChI Key: InChIKey=PDCSYBRMRYSJDP-ZOJZNMBWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110447   
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))		BDBM50110447
PNG
(CHEMBL352120 | ethyl 5-{[1-(3-{4-[6-(2-chloropheny...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CCCCN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:39|
Show InChI InChI=1S/C42H46ClN7O3S/c1-4-52-37(51)19-8-10-24-53-48-39(32-16-12-21-44-26-32)31-15-11-14-30(25-31)13-7-9-22-49-23-20-34-36(27-49)54-42-38(34)40(33-17-5-6-18-35(33)43)45-28(2)41-47-46-29(3)50(41)42/h5-6,11-12,14-18,21,25-26,28H,4,7-10,13,19-20,22-24,27H2,1-3H3/b48-39+
KEGG

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PubMed
n/an/a 21n/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