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BDBM61592 3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-piperidyl]-5-phenyl-1,3,4-oxadiazol-2-one::3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one::3-[1-[1-(4-chlorophenyl)cyclopropyl]carbonylpiperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one::3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one::MLS001116134::SMR000625858::cid_23612567

SMILES: Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

InChI Key: InChIKey=CREWBZNTQFJRTK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 61592   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61592
PNG
(3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pi...)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
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PC sid
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PubMed
n/an/a 640n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) over-expressed with N-terminal deletion beta-galactosidase mutant-tag...


Bioorg Med Chem Lett 26: 1827-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FQ9ZG5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61592
PNG
(3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pi...)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 680n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair