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BDBM87282 5-bromanyl-N-[4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]pyridine-3-carboxamide::5-bromo-N-[4-(2-keto-2-morpholino-ethoxy)phenyl]nicotinamide::5-bromo-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pyridine-3-carboxamide::5-bromo-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-3-pyridinecarboxamide::5-bromo-N-{4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}nicotinamide::MLS000698049::SMR000229370::cid_990978

SMILES: Brc1cncc(c1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1

InChI Key: InChIKey=JJKCBRXJDPHTQQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 87282   
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...)
BDBM87282
PNG
(5-bromanyl-N-[4-(2-morpholin-4-yl-2-oxidanylidene-...)
Show SMILES Brc1cncc(c1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18BrN3O4/c19-14-9-13(10-20-11-14)18(24)21-15-1-3-16(4-2-15)26-12-17(23)22-5-7-25-8-6-22/h1-4,9-11H,5-8,12H2,(H,21,24)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.02E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87282
PNG
(5-bromanyl-N-[4-(2-morpholin-4-yl-2-oxidanylidene-...)
Show SMILES Brc1cncc(c1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18BrN3O4/c19-14-9-13(10-20-11-14)18(24)21-15-1-3-16(4-2-15)26-12-17(23)22-5-7-25-8-6-22/h1-4,9-11H,5-8,12H2,(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.43E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87282
PNG
(5-bromanyl-N-[4-(2-morpholin-4-yl-2-oxidanylidene-...)
Show SMILES Brc1cncc(c1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18BrN3O4/c19-14-9-13(10-20-11-14)18(24)21-15-1-3-16(4-2-15)26-12-17(23)22-5-7-25-8-6-22/h1-4,9-11H,5-8,12H2,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair