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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'oida' and Initial = 't'   
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 receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50062599
PNG
(3,5-Dimethyl-adamantan-1-ylamine | CHEMBL807 | EN3...)
Show SMILES CC12CC3CC(C)(C1)CC(N)(C3)C2 |TLB:7:1:4.5.8:11,10:9:4:2.7.1,0:1:4:8.9.11,THB:7:5:11:2.1.12,12:1:4:8.9.11,12:9:4:2.7.1,6:5:11:2.1.12|
Show InChI InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
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n/an/a 0.950n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.063
BindingDB Entry DOI: 10.7270/Q2JM2DK4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50492253
PNG
(CHEMBL2398522)
Show SMILES C(CCCCCCNCCCCCCNCC(c1ccccc1)c1ccccc1)CCCCCNCCCCCCNCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C52H78N4/c1(3-5-7-25-39-53-41-27-9-11-29-43-55-45-51(47-31-17-13-18-32-47)48-33-19-14-20-34-48)2-4-6-8-26-40-54-42-28-10-12-30-44-56-46-52(49-35-21-15-22-36-49)50-37-23-16-24-38-50/h13-24,31-38,51-56H,1-12,25-30,39-46H2
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n/an/a 4.20n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.063
BindingDB Entry DOI: 10.7270/Q2JM2DK4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50492252
PNG
(CHEMBL55568)
Show SMILES C(CCCCNCCCCCCNCC(c1ccccc1)c1ccccc1)CCCNCCCCCCNCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C48H70N4/c1(3-21-35-49-37-23-5-7-25-39-51-41-47(43-27-13-9-14-28-43)44-29-15-10-16-30-44)2-4-22-36-50-38-24-6-8-26-40-52-42-48(45-31-17-11-18-32-45)46-33-19-12-20-34-46/h9-20,27-34,47-52H,1-8,21-26,35-42H2
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n/an/a 11n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.063
BindingDB Entry DOI: 10.7270/Q2JM2DK4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50492255
PNG
(CHEMBL2009741)
Show SMILES COc1ccccc1CNCCCCCNCCCCCCCCCCNCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-17-27-37-25-15-7-5-3-4-6-8-16-26-38-28-18-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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n/an/a 89n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.063
BindingDB Entry DOI: 10.7270/Q2JM2DK4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50064176
PNG
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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n/an/a 138n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.063
BindingDB Entry DOI: 10.7270/Q2JM2DK4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50492256
PNG
(CHEMBL2398521)
Show SMILES COc1ccccc1CNCCCCCCCCNCCCCCCNCCCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C38H66N4O2/c1-43-37-25-15-13-23-35(37)33-41-31-21-9-5-3-7-17-27-39-29-19-11-12-20-30-40-28-18-8-4-6-10-22-32-42-34-36-24-14-16-26-38(36)44-2/h13-16,23-26,39-42H,3-12,17-22,27-34H2,1-2H3
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n/an/a 257n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.063
BindingDB Entry DOI: 10.7270/Q2JM2DK4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50492254
PNG
(CHEMBL2398520)
Show SMILES COc1ccccc1CNCCCCCNCCCCCCNCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C32H54N4O2/c1-37-31-19-9-7-17-29(31)27-35-25-15-5-13-23-33-21-11-3-4-12-22-34-24-14-6-16-26-36-28-30-18-8-10-20-32(30)38-2/h7-10,17-20,33-36H,3-6,11-16,21-28H2,1-2H3
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n/an/a 315n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.063
BindingDB Entry DOI: 10.7270/Q2JM2DK4
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50041457
PNG
(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Show InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
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n/an/a 1.67E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
BindingDB Entry DOI: 10.7270/Q2C82BJV
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 2.52E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
BindingDB Entry DOI: 10.7270/Q2C82BJV
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 2.92E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
BindingDB Entry DOI: 10.7270/Q2C82BJV
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50022889
PNG
((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...)
Show SMILES OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
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n/an/a 3.15E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
BindingDB Entry DOI: 10.7270/Q2C82BJV
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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n/an/a 3.25E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
BindingDB Entry DOI: 10.7270/Q2C82BJV
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)
BDBM50411276
PNG
(QUININE SULFATE)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:20:19:12.13:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1
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n/an/a 3.65E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
BindingDB Entry DOI: 10.7270/Q2C82BJV
More data for this
Ligand-Target Pair