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BDBM93675 MLS002608730::N-(6-methoxy-4-methyl-8-quinolinyl)-N'-propan-2-ylpropane-1,3-diamine::N-(6-methoxy-4-methyl-quinolin-8-yl)-N'-propan-2-yl-propane-1,3-diamine::N-(6-methoxy-4-methylquinolin-8-yl)-N'-propan-2-ylpropane-1,3-diamine::SMR001527474::cid_239930::isopropyl-[3-[(6-methoxy-4-methyl-8-quinolyl)amino]propyl]amine

SMILES: COc1cc(NCCCNC(C)C)c2nccc(C)c2c1

InChI Key: InChIKey=FRJNBBPUGUZFEQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 93675   
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
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93675
PNG
(MLS002608730 | N-(6-methoxy-4-methyl-8-quinolinyl)...)
Show SMILES COc1cc(NCCCNC(C)C)c2nccc(C)c2c1
Show InChI InChI=1S/C17H25N3O/c1-12(2)18-7-5-8-19-16-11-14(21-4)10-15-13(3)6-9-20-17(15)16/h6,9-12,18-19H,5,7-8H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM93675
PNG
(MLS002608730 | N-(6-methoxy-4-methyl-8-quinolinyl)...)
Show SMILES COc1cc(NCCCNC(C)C)c2nccc(C)c2c1
Show InChI InChI=1S/C17H25N3O/c1-12(2)18-7-5-8-19-16-11-14(21-4)10-15-13(3)6-9-20-17(15)16/h6,9-12,18-19H,5,7-8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.28E+5n/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 (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93675
PNG
(MLS002608730 | N-(6-methoxy-4-methyl-8-quinolinyl)...)
Show SMILES COc1cc(NCCCNC(C)C)c2nccc(C)c2c1
Show InChI InChI=1S/C17H25N3O/c1-12(2)18-7-5-8-19-16-11-14(21-4)10-15-13(3)6-9-20-17(15)16/h6,9-12,18-19H,5,7-8H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM93675
PNG
(MLS002608730 | N-(6-methoxy-4-methyl-8-quinolinyl)...)
Show SMILES COc1cc(NCCCNC(C)C)c2nccc(C)c2c1
Show InChI InChI=1S/C17H25N3O/c1-12(2)18-7-5-8-19-16-11-14(21-4)10-15-13(3)6-9-20-17(15)16/h6,9-12,18-19H,5,7-8H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2930RSV
More data for this
Ligand-Target Pair