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BDBM79314 6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-8-quinolinol::6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]quinolin-8-ol::6-[2-(4-methylpiperazino)-4-pyridyl]quinolin-8-ol::MLS002391557::SMR001355525::cid_44142411

SMILES: CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1

InChI Key: InChIKey=INYHMKFEIYIEMI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 79314   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79314
PNG
(6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-8-quino...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C19H20N4O/c1-22-7-9-23(10-8-22)18-13-14(4-6-20-18)16-11-15-3-2-5-21-19(15)17(24)12-16/h2-6,11-13,24H,7-10H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79314
PNG
(6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-8-quino...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C19H20N4O/c1-22-7-9-23(10-8-22)18-13-14(4-6-20-18)16-11-15-3-2-5-21-19(15)17(24)12-16/h2-6,11-13,24H,7-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM79314
PNG
(6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-8-quino...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C19H20N4O/c1-22-7-9-23(10-8-22)18-13-14(4-6-20-18)16-11-15-3-2-5-21-19(15)17(24)12-16/h2-6,11-13,24H,7-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
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UniChem
PCBioAssay
n/an/a 6.88E+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
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM79314
PNG
(6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-8-quino...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C19H20N4O/c1-22-7-9-23(10-8-22)18-13-14(4-6-20-18)16-11-15-3-2-5-21-19(15)17(24)12-16/h2-6,11-13,24H,7-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.88E+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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79314
PNG
(6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-8-quino...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C19H20N4O/c1-22-7-9-23(10-8-22)18-13-14(4-6-20-18)16-11-15-3-2-5-21-19(15)17(24)12-16/h2-6,11-13,24H,7-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.56E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair