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BDBM64777 1,8-bis(azanyl)-3-[butyl(ethyl)amino]-6-ethoxy-2,7-naphthyridine-4-carbonitrile::1,8-diamino-3-[butyl(ethyl)amino]-6-ethoxy-2,7-naphthyridine-4-carbonitrile::MLS000564759::SMR000151991::cid_5216640

SMILES: CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N

InChI Key: InChIKey=PYLKIUBYVAMNEF-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 64777   
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
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit


(Homo sapiens (Human))
BDBM64777
PNG
(1,8-bis(azanyl)-3-[butyl(ethyl)amino]-6-ethoxy-2,7...)
Show SMILES CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N
Show InChI InChI=1S/C17H24N6O/c1-4-7-8-23(5-2)17-12(10-18)11-9-13(24-6-3)21-15(19)14(11)16(20)22-17/h9H,4-8H2,1-3H3,(H2,19,21)(H2,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.70E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM64777
PNG
(1,8-bis(azanyl)-3-[butyl(ethyl)amino]-6-ethoxy-2,7...)
Show SMILES CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N
Show InChI InChI=1S/C17H24N6O/c1-4-7-8-23(5-2)17-12(10-18)11-9-13(24-6-3)21-15(19)14(11)16(20)22-17/h9H,4-8H2,1-3H3,(H2,19,21)(H2,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Homo sapiens (Human))
BDBM64777
PNG
(1,8-bis(azanyl)-3-[butyl(ethyl)amino]-6-ethoxy-2,7...)
Show SMILES CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N
Show InChI InChI=1S/C17H24N6O/c1-4-7-8-23(5-2)17-12(10-18)11-9-13(24-6-3)21-15(19)14(11)16(20)22-17/h9H,4-8H2,1-3H3,(H2,19,21)(H2,20,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.52E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair