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SMILES: CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1

InChI Key: InChIKey=RCSIVKKBQQABIF-UHFFFAOYSA-N

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 = 67769   
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 damage-inducible transcript 3 protein


(Mus musculus)
BDBM67769
PNG
(2-(4-butylanilino)-6-propyl-1H-pyrimidin-4-one | 2...)
Show SMILES CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H23N3O/c1-3-5-7-13-8-10-14(11-9-13)18-17-19-15(6-4-2)12-16(21)20-17/h8-12H,3-7H2,1-2H3,(H2,18,19,20,21)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67769
PNG
(2-(4-butylanilino)-6-propyl-1H-pyrimidin-4-one | 2...)
Show SMILES CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H23N3O/c1-3-5-7-13-8-10-14(11-9-13)18-17-19-15(6-4-2)12-16(21)20-17/h8-12H,3-7H2,1-2H3,(H2,18,19,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67769
PNG
(2-(4-butylanilino)-6-propyl-1H-pyrimidin-4-one | 2...)
Show SMILES CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H23N3O/c1-3-5-7-13-8-10-14(11-9-13)18-17-19-15(6-4-2)12-16(21)20-17/h8-12H,3-7H2,1-2H3,(H2,18,19,20,21)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.17E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair