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BDBM52237 2-methyl-7-[phenyl-(2-pyridinylamino)methyl]-8-quinolinol::2-methyl-7-[phenyl-(2-pyridylamino)methyl]quinolin-8-ol::2-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol::MLS000522853::Oxyquinoline, D2, #5::SMR000128119::cid_4999481

SMILES: Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1

InChI Key: InChIKey=JXFRSLRXSBGCHN-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 52237   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM52237
PNG
(2-methyl-7-[phenyl-(2-pyridinylamino)methyl]-8-qui...)
Show SMILES Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
Show InChI InChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM52237
PNG
(2-methyl-7-[phenyl-(2-pyridinylamino)methyl]-8-qui...)
Show SMILES Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
Show InChI InChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25)
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n/an/a 700n/an/an/an/an/an/a



U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...


Bioorg Med Chem Lett 27: 675-678 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26PM
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM52237
PNG
(2-methyl-7-[phenyl-(2-pyridinylamino)methyl]-8-qui...)
Show SMILES Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
Show InChI InChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25)
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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Weill Medical College of Cornell University



Assay Description
The predication of no specific interaction between enzyme and iron-binding inhibitors but the Enzyme inhibition constants (IC50s)will change in paral...


Chem Biol 17: 380-91 (2010)


Article DOI: 10.1016/j.chembiol.2010.03.008
BindingDB Entry DOI: 10.7270/Q20K271K
More data for this
Ligand-Target Pair