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BDBM100219 MLS000733369::N-cyclooctyl-5-(6-quinolinyloxymethyl)-3-isoxazolecarboxamide::N-cyclooctyl-5-(6-quinolyloxymethyl)isoxazole-3-carboxamide::N-cyclooctyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide::N-cyclooctyl-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide::SMR000315956::cid_16189691

SMILES: O=C(NC1CCCCCCC1)c1cc(COc2ccc3ncccc3c2)on1

InChI Key: InChIKey=CUYIDLFZPOFPFS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 100219   
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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100219
PNG
(MLS000733369 | N-cyclooctyl-5-(6-quinolinyloxymeth...)
Show SMILES O=C(NC1CCCCCCC1)c1cc(COc2ccc3ncccc3c2)on1
Show InChI InChI=1S/C22H25N3O3/c26-22(24-17-8-4-2-1-3-5-9-17)21-14-19(28-25-21)15-27-18-10-11-20-16(13-18)7-6-12-23-20/h6-7,10-14,17H,1-5,8-9,15H2,(H,24,26)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM100219
PNG
(MLS000733369 | N-cyclooctyl-5-(6-quinolinyloxymeth...)
Show SMILES O=C(NC1CCCCCCC1)c1cc(COc2ccc3ncccc3c2)on1
Show InChI InChI=1S/C22H25N3O3/c26-22(24-17-8-4-2-1-3-5-9-17)21-14-19(28-25-21)15-27-18-10-11-20-16(13-18)7-6-12-23-20/h6-7,10-14,17H,1-5,8-9,15H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.41E+3n/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/Q21Z431S
More data for this
Ligand-Target Pair