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BDBM59008 1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea::1-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea::1-mesityl-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea::MLS000683537::N-mesityl-N'-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}thiourea::SMR000311694::cid_3687665

SMILES: COc1ccc(cc1)N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1

InChI Key: InChIKey=FXHGJVWNQLIDGU-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 59008   
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
large T antigen


(Simian virus 40)
BDBM59008
PNG
(1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(...)
Show SMILES COc1ccc(cc1)N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1
Show InChI InChI=1S/C22H29N3OS/c1-15-11-16(2)21(17(3)12-15)24-22(27)23-13-18-9-10-25(14-18)19-5-7-20(26-4)8-6-19/h5-8,11-12,18H,9-10,13-14H2,1-4H3,(H2,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.59E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair