BindingDB logo
myBDB logout

BDBM50113016 3-[4-ethyloxycarbonylbutyl(N-oxo)imino(3-pyridyl)methyl]benzyl6-(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]diazepine-9-carboxylate::CHEMBL283815

SMILES: CCOC(=O)CCCC\[N+]([O-])=C(\c1cccnc1)c1cccc(COC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1

InChI Key: InChIKey=MZWKRRCORZDFMD-AANPHTAWNA-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 = 50113016   
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))
BDBM50113016
PNG
(3-[4-ethyloxycarbonylbutyl(N-oxo)imino(3-pyridyl)m...)
Show SMILES CCOC(=O)CCCC\[N+]([O-])=C(\c1cccnc1)c1cccc(COC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1
Show InChI InChI=1/C40H40ClN7O5S/c1-4-52-34(49)16-7-8-19-47(51)37(29-13-10-18-42-22-29)28-12-9-11-27(21-28)24-53-40(50)46-20-17-31-33(23-46)54-39-35(31)36(30-14-5-6-15-32(30)41)43-25(2)38-45-44-26(3)48(38)39/h5-6,9-15,18,21-22,25H,4,7-8,16-17,19-20,23-24H2,1-3H3/b47-37-
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes


Bioorg Med Chem Lett 12: 1383-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00186-5
BindingDB Entry DOI: 10.7270/Q2MG7NT9
More data for this
Ligand-Target Pair