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BDBM95394 3-(1-{[3-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-4-methyl-1,2,5-oxadiazole::3-[1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidinyl]-4-methyl-1,2,5-oxadiazole::3-[1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-furazan::3-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole::MLS000734896::SMR000316526::cid_16190042

SMILES: COc1ccc2cc(ccc2c1)-c1n[nH]cc1CN1CCCC1c1nonc1C

InChI Key: InChIKey=LBVFWJILNBYIOO-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 = 95394   
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
MSRA protein


(Bos taurus)
BDBM95394
PNG
(3-(1-{[3-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]me...)
Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]cc1CN1CCCC1c1nonc1C
Show InChI InChI=1S/C22H23N5O2/c1-14-21(26-29-25-14)20-4-3-9-27(20)13-18-12-23-24-22(18)17-6-5-16-11-19(28-2)8-7-15(16)10-17/h5-8,10-12,20H,3-4,9,13H2,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair