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BDBM64862 5-chloranyl-7-[(4-methylpiperazin-1-yl)-pyridin-2-yl-methyl]quinolin-8-ol::5-chloro-7-[(4-methyl-1-piperazinyl)-(2-pyridinyl)methyl]-8-quinolinol::5-chloro-7-[(4-methylpiperazin-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol::5-chloro-7-[(4-methylpiperazino)-(2-pyridyl)methyl]quinolin-8-ol::MLS000774453::SMR000371742::cid_3515733

SMILES: CN1CCN(CC1)C(c1ccccn1)c1cc(Cl)c2cccnc2c1O

InChI Key: InChIKey=ZYJAQXOCWRKZDU-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 = 64862   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM64862
PNG
(5-chloranyl-7-[(4-methylpiperazin-1-yl)-pyridin-2-...)
Show SMILES CN1CCN(CC1)C(c1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19(17-6-2-3-7-22-17)15-13-16(21)14-5-4-8-23-18(14)20(15)26/h2-8,13,19,26H,9-12H2,1H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.17E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM64862
PNG
(5-chloranyl-7-[(4-methylpiperazin-1-yl)-pyridin-2-...)
Show SMILES CN1CCN(CC1)C(c1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19(17-6-2-3-7-22-17)15-13-16(21)14-5-4-8-23-18(14)20(15)26/h2-8,13,19,26H,9-12H2,1H3
PDB
MMDB

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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>7.35E+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/Q2RB736G
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM64862
PNG
(5-chloranyl-7-[(4-methylpiperazin-1-yl)-pyridin-2-...)
Show SMILES CN1CCN(CC1)C(c1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C20H21ClN4O/c1-24-9-11-25(12-10-24)19(17-6-2-3-7-22-17)15-13-16(21)14-5-4-8-23-18(14)20(15)26/h2-8,13,19,26H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.76E+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/Q2BC3X0T
More data for this
Ligand-Target Pair