BindingDB logo
myBDB logout

BDBM50110449 5-[(4-[1,4-dimethyl-6-(2-chloro-phenyl)-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-carbonyl-methyl]-phenyl)-pyridin-3-yl-methyleneaminooxy]-pentanoic acid ethyl ester::CHEMBL166193

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

InChI Key: InChIKey=LKFIIAYRXCYMDP-AKESWDMGSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110449   
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))		BDBM50110449
PNG
(5-[(4-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-t...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(CC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)cc1)c1cccnc1 |c:30|
Show InChI InChI=1S/C40H40ClN7O4S/c1-4-51-35(50)13-7-8-21-52-46-37(29-10-9-19-42-23-29)28-16-14-27(15-17-28)22-34(49)47-20-18-31-33(24-47)53-40-36(31)38(30-11-5-6-12-32(30)41)43-25(2)39-45-44-26(3)48(39)40/h5-6,9-12,14-17,19,23,25H,4,7-8,13,18,20-22,24H2,1-3H3/b46-37+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 69n/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