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BDBM37352 1-(2-furoyl)isonipecotic acid ethyl ester::1-(Furan-2-carbonyl)-piperidine-4-carboxylic acid ethyl ester::1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid ethyl ester::MLS000075775::SMR000009550::cid_646328::ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate::ethyl 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate

SMILES: CCOC(=O)C1CCN(CC1)C(=O)c1ccco1

InChI Key: InChIKey=GZBGPLYWYCOXHU-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 37352   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM37352
PNG
(1-(2-furoyl)isonipecotic acid ethyl ester | 1-(Fur...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C13H17NO4/c1-2-17-13(16)10-5-7-14(8-6-10)12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.50E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BV7F1T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37352
PNG
(1-(2-furoyl)isonipecotic acid ethyl ester | 1-(Fur...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C13H17NO4/c1-2-17-13(16)10-5-7-14(8-6-10)12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair