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BDBM50110453 2-(1,4-oxazinan-4-yl)ethyl 5-{[1-{3-[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-ylmethyl]phenyl}-1-(3-pyridyl)-(E)-methylideneamino]-oxy}-pentanoate::CHEMBL164758

SMILES: CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(=O)OCCN4CCOCC4)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl

InChI Key: InChIKey=WZRBVVHQLFBQKT-URKJGAIASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110453   
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))		BDBM50110453
PNG
(2-(1,4-oxazinan-4-yl)ethyl 5-{[1-{3-[6-(2-chloroph...)
Show SMILES CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(=O)OCCN4CCOCC4)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C43H47ClN8O4S/c1-29-42-48-47-30(2)52(42)43-39(41(46-29)34-12-3-4-13-36(34)44)35-15-17-51(28-37(35)57-43)27-31-9-7-10-32(25-31)40(33-11-8-16-45-26-33)49-56-21-6-5-14-38(53)55-24-20-50-18-22-54-23-19-50/h3-4,7-13,16,25-26,29H,5-6,14-15,17-24,27-28H2,1-2H3/b49-40+
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 151n/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