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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'ghanbarimasir' and Initial = 'z'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate racemase


(Helicobacter pylori J99)
BDBM50215445
PNG
(5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...)
Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(17.56,4.29,;19.1,4.29,;20,5.54,;21.47,5.06,;21.47,3.52,;20,3.04,;19.53,1.58,;20.45,.33,;21.99,.33,;22.76,-1.01,;21.98,-2.34,;22.75,-3.67,;24.29,-3.67,;25.06,-2.32,;26.59,-2.32,;27.35,-.99,;26.57,.34,;27.33,1.68,;25.05,.33,;24.29,-1,;19.53,-.93,;18.06,-.45,;16.72,-1.22,;16.71,-2.76,;15.38,-3.52,;13.84,-3.53,;14.61,-4.86,;15.38,-.45,;14.05,-1.22,;15.38,1.1,;14.05,1.87,;16.72,1.88,;16.71,3.42,;18.06,1.1,;22.71,5.96,;23.96,6.86,)|
Show InChI InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50078761
PNG
(CHEMBL3415643)
Show SMILES Nc1oc2ccccc2c(=O)c1\C=C1/COc2ccccc2C1=O
Show InChI InChI=1S/C19H13NO4/c20-19-14(18(22)13-6-2-4-8-16(13)24-19)9-11-10-23-15-7-3-1-5-12(15)17(11)21/h1-9H,10,20H2/b11-9+
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Mazandaran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


Eur J Med Chem 93: 539-63 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.048
BindingDB Entry DOI: 10.7270/Q26D5VQ8
More data for this
Ligand-Target Pair
Glutamate racemase


(Helicobacter pylori J99)
BDBM50215444
PNG
(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminodeoxyfutalosine nucleosidase


(Helicobacter pylori (strain J99 / ATCC 700824) (Ca...)
BDBM50610735
PNG
(CHEMBL5288127)
Show SMILES CCCCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
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n/an/an/a<50n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aminodeoxyfutalosine nucleosidase


(Helicobacter pylori (strain J99 / ATCC 700824) (Ca...)
BDBM36436
PNG
((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...)
Show SMILES CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
Show InChI InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1
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n/an/an/a<50n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aminodeoxyfutalosine nucleosidase


(Helicobacter pylori (strain J99 / ATCC 700824) (Ca...)
BDBM50610734
PNG
(CHEMBL5288917)
Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
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n/an/an/a<50n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair