BindingDB logo
myBDB logout

BDBM41971 6-[(4-methoxyphenyl)-(1-pyrrolidinyl)methyl]-1,3-benzodioxol-5-ol::6-[(4-methoxyphenyl)-pyrrolidin-1-yl-methyl]-1,3-benzodioxol-5-ol::6-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol::6-[(4-methoxyphenyl)-pyrrolidino-methyl]sesamol::cid_340205

SMILES: COc1ccc(cc1)C(N1CCCC1)c1cc2OCOc2cc1O

InChI Key: InChIKey=TUODYFDDFYVYBP-UHFFFAOYSA-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 = 41971   
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
mothers against decapentaplegic homolog 3


(Homo sapiens (Human))
BDBM41971
PNG
(6-[(4-methoxyphenyl)-(1-pyrrolidinyl)methyl]-1,3-b...)
Show SMILES COc1ccc(cc1)C(N1CCCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C19H21NO4/c1-22-14-6-4-13(5-7-14)19(20-8-2-3-9-20)15-10-17-18(11-16(15)21)24-12-23-17/h4-7,10-11,19,21H,2-3,8-9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.46E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21R6NZ6
More data for this
Ligand-Target Pair