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BDBM40400 (4-methoxyphenyl)-[2-methyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone::MLS000105462::SMR000102343::[5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-3-benzofuranyl]-(4-methoxyphenyl)methanone::[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone::[5-hydroxy-2-methyl-4-(morpholinomethyl)benzofuran-3-yl]-(4-methoxyphenyl)methanone::cid_1377475

SMILES: COc1ccc(cc1)C(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12

InChI Key: InChIKey=PHQWMFMQIDLFFL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40400   
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
Factor XIIa


(Homo sapiens (Human))
BDBM40400
PNG
((4-methoxyphenyl)-[2-methyl-4-(morpholin-4-ylmethy...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12
Show InChI InChI=1S/C22H23NO5/c1-14-20(22(25)15-3-5-16(26-2)6-4-15)21-17(13-23-9-11-27-12-10-23)18(24)7-8-19(21)28-14/h3-8,24H,9-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BC3WZZ
More data for this
Ligand-Target Pair