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BDBM45375 1-[4-(azepan-1-ylcarbonyl)phenyl]pyrrolidin-2-one::1-[4-(azepane-1-carbonyl)phenyl]-2-pyrrolidone::1-[4-(azepane-1-carbonyl)phenyl]pyrrolidin-2-one::1-[4-[1-azepanyl(oxo)methyl]phenyl]-2-pyrrolidinone::MLS000091997::SMR000026521::cid_3241410

SMILES: O=C(N1CCCCCC1)c1ccc(cc1)N1CCCC1=O

InChI Key: InChIKey=QSRLSFVKIVMJAJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45375   
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))
BDBM45375
PNG
(1-[4-(azepan-1-ylcarbonyl)phenyl]pyrrolidin-2-one ...)
Show SMILES O=C(N1CCCCCC1)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C17H22N2O2/c20-16-6-5-13-19(16)15-9-7-14(8-10-15)17(21)18-11-3-1-2-4-12-18/h7-10H,1-6,11-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
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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/Q21G0JQS
More data for this
Ligand-Target Pair