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BDBM50023014 CHEMBL40983::N-Butyl-4-[2-imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-ethoxymethyl]-N-methyl-benzamide

SMILES: CCCCN(C)C(=O)c1ccc(COC(COCc2ccc(OC)cc2)Cn2ccnc2)cc1

InChI Key: InChIKey=IPEQXMFAYZQNNA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023014   
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))
BDBM50023014
PNG
(CHEMBL40983 | N-Butyl-4-[2-imidazol-1-yl-1-(4-meth...)
Show SMILES CCCCN(C)C(=O)c1ccc(COC(COCc2ccc(OC)cc2)Cn2ccnc2)cc1
Show InChI InChI=1S/C27H35N3O4/c1-4-5-15-29(2)27(31)24-10-6-23(7-11-24)19-34-26(17-30-16-14-28-21-30)20-33-18-22-8-12-25(32-3)13-9-22/h6-14,16,21,26H,4-5,15,17-20H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against intact human platelet TXA2 formation


J Med Chem 30: 1588-95 (1987)


BindingDB Entry DOI: 10.7270/Q20R9NDV
More data for this
Ligand-Target Pair