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Compile Data Set for Download or QSAR

Found 484 hits of ki for UniProtKB: Q00960   
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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617046
PNG
(US11752155, Compound E1-38.6B')
Show SMILES FC(F)[H]c1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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0.110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617044
PNG
(US11752155, Compound E1-38.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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0.180n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617051
PNG
(US11752155, Compound III-E1-38.1B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ccncc1)C(=O)OC1Cc2ccccc2C1 |r|
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0.290n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617045
PNG
(US11752155, Compound E1-38.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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0.350n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388301
PNG
(US10294230, Compound E1-22.2 | US10584127, Compoun...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C19H22F2N4O2/c1-14-3-5-15(6-4-14)12-27-18(26)25-10-7-16(19(20,21)13-25)11-24-17-22-8-2-9-23-17/h2-6,8-9,16H,7,10-13H2,1H3,(H,22,23,24)/t16-/m1/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617024
PNG
(US11752155, Compound E1-22.5B')
Show SMILES CCc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
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0.490n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388302
PNG
(US10294230, Compound E1-21.2 | US10584127, Compoun...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cnccn3)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C19H22F2N4O2/c1-14-2-4-15(5-3-14)12-27-18(26)25-9-6-16(19(20,21)13-25)10-24-17-11-22-7-8-23-17/h2-5,7-8,11,16H,6,9-10,12-13H2,1H3,(H,23,24)/t16-/m1/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617047
PNG
(US11752155, Compound E1-38.8B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3F)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617030
PNG
(US11752155, Compound E1-22.3B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ncccn1)C(=O)OCc1ccc(Cl)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM287603
PNG
(BDBM393497 | BDBM413611 | BDBM617007 | US9567341, ...)
Show SMILES FC(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H21F4N5/c21-17(22)13-1-3-14(4-2-13)20(23,24)11-29-9-6-15(7-10-29)28-19-16-5-8-25-18(16)26-12-27-19/h1-5,8,12,15,17H,6-7,9-11H2,(H2,25,26,27,28)
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617032
PNG
(US11752155, Compound E1-22.6B')
Show SMILES FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388303
PNG
(US10294230, Compound E1-21.26 | US10584127, Compou...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cnc(C)cn3)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H24F2N4O2/c1-14-3-5-16(6-4-14)12-28-19(27)26-8-7-17(20(21,22)13-26)10-25-18-11-23-15(2)9-24-18/h3-6,9,11,17H,7-8,10,12-13H2,1-2H3,(H,24,25)/t17-/m1/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617055
PNG
(US11752155, Compound E2-38.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617031
PNG
(US11752155, Compound E1-22.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617034
PNG
(US11752155, Compound E1-23.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccccn3)C(F)(F)C2)cc1 |r|
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1.30n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617026
PNG
(US11752155, Compound E1-21.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3cnccn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198694
PNG
(US9221796, 23b)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1
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US Patent
1.40 -13.1n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198694
PNG
(US9221796, 23b)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...


ACS Med Chem Lett 9: 472-477 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00080
BindingDB Entry DOI: 10.7270/Q2PR7ZJT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM435146
PNG
(US10584127, Compound E1-8.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198665
PNG
(US9221796, 2b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1
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US Patent
1.40 -13.1n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198665
PNG
(US9221796, 2b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...


ACS Med Chem Lett 9: 472-477 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00080
BindingDB Entry DOI: 10.7270/Q2PR7ZJT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM287602
PNG
(US10420768, Compound C-178 | US11752155, Compound ...)
Show SMILES FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H20F5N5/c21-19(22,13-1-3-14(4-2-13)20(23,24)25)11-30-9-6-15(7-10-30)29-18-16-5-8-26-17(16)27-12-28-18/h1-5,8,12,15H,6-7,9-11H2,(H2,26,27,28,29)
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617049
PNG
(US11752155, Compound III-E1-22.1B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ncccn1)C(=O)OC1Cc2ccccc2C1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198687
PNG
(US9221796, 18b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1S/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1
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US Patent
1.5 -13.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198685
PNG
(US9221796, 17)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2
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1.60 -13.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198681
PNG
(US9221796, 13b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C22H26N2O2/c25-20-8-6-18(7-9-20)19-10-13-23(14-11-19)21-12-15-24(22(21)26)16-17-4-2-1-3-5-17/h1-9,19,21,25H,10-16H2/t21-/m1/s1
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1.60 -13.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617033
PNG
(US11752155, Compound E1-22.28B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(F)cn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198835
PNG
(US9221796, 116)
Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1S/C22H23ClF2N2O2/c23-16-4-1-14(2-5-16)12-27-10-8-20(22(27)29)26-9-7-17(19(25)13-26)15-3-6-21(28)18(24)11-15/h1-6,11,17,19-20,28H,7-10,12-13H2/t17-,19+,20+/m0/s1
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2 -12.9n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617038
PNG
(US11752155, Compound E1-24.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cccnn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50124908
PNG
(CHEMBL159560 | N-(2-Methoxy-benzyl)-4-trifluoromet...)
Show SMILES COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1 |w:9.9|
Show InChI InChI=1S/C16H15F3N2O2/c1-22-14-5-3-2-4-12(14)10-21-15(20)11-6-8-13(9-7-11)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)
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2.10n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 828-30 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.087
BindingDB Entry DOI: 10.7270/Q2XK8H20
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617041
PNG
(US11752155, Compound E1-37.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncn3)C(F)(F)C2)cc1 |r|
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BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198724
PNG
(US9221796, 45, P-4)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Show InChI InChI=1S/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21-/m1/s1
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2.5 -12.7n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617021
PNG
(US11752155, Compound E1-1.5B')
Show SMILES CCc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
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BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617025
PNG
(US11752155, Compound E1-22.30B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(cn3)C#N)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198834
PNG
(US9221796, 115)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1 |r|
Show InChI InChI=1S/C23H26F2N2O2/c1-15-2-4-16(5-3-15)13-27-11-9-21(23(27)29)26-10-8-18(20(25)14-26)17-6-7-22(28)19(24)12-17/h2-7,12,18,20-21,28H,8-11,13-14H2,1H3/t18-,20+,21+/m0/s1
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2.70 -12.7n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423269
PNG
(US10501451, Example 2, P-1 | US10501451, Example 2...)
Show SMILES Cc1ccc(CN2OCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C22H26N2O3/c1-16-2-4-17(5-3-16)14-24-22(26)21(15-27-24)23-12-10-19(11-13-23)18-6-8-20(25)9-7-18/h2-9,19,21,25H,10-15H2,1H3
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2.79n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 μg/well). The experimental co...


US Patent US10954225 (2021)


BindingDB Entry DOI: 10.7270/Q2DR2ZMB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423269
PNG
(US10501451, Example 2, P-1 | US10501451, Example 2...)
Show SMILES Cc1ccc(CN2OCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C22H26N2O3/c1-16-2-4-17(5-3-16)14-24-22(26)21(15-27-24)23-12-10-19(11-13-23)18-6-8-20(25)9-7-18/h2-9,19,21,25H,10-15H2,1H3
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2.79n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding experiments to determine binding to NR2B-subtype NMDA receptors were performed on forebrains of 8-10 weeks old male Sprague Dawley rats (Harl...


US Patent US10501451 (2019)


BindingDB Entry DOI: 10.7270/Q2GB26FG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423291
PNG
(US10501451, Example 14, P-1 | US10501451, Example ...)
Show SMILES Oc1ccc(cc1F)C1CCN(CC1F)C1CCON(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C22H23ClF2N2O3/c23-16-4-1-14(2-5-16)12-27-22(29)20(8-10-30-27)26-9-7-17(19(25)13-26)15-3-6-21(28)18(24)11-15/h1-6,11,17,19-20,28H,7-10,12-13H2
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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding experiments to determine binding to NR2B-subtype NMDA receptors were performed on forebrains of 8-10 weeks old male Sprague Dawley rats (Harl...


US Patent US10501451 (2019)


BindingDB Entry DOI: 10.7270/Q2GB26FG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423291
PNG
(US10501451, Example 14, P-1 | US10501451, Example ...)
Show SMILES Oc1ccc(cc1F)C1CCN(CC1F)C1CCON(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C22H23ClF2N2O3/c23-16-4-1-14(2-5-16)12-27-22(29)20(8-10-30-27)26-9-7-17(19(25)13-26)15-3-6-21(28)18(24)11-15/h1-6,11,17,19-20,28H,7-10,12-13H2
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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 μg/well). The experimental co...


US Patent US10954225 (2021)


BindingDB Entry DOI: 10.7270/Q2DR2ZMB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198837
PNG
(US9221796, 117, P-2)
Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r|
Show InChI InChI=1S/C23H24F4N2O2/c24-18-11-16(5-6-21(18)30)17-7-9-28(13-19(17)25)20-8-10-29(23(20)31)12-14-1-3-15(4-2-14)22(26)27/h1-6,11,17,19-20,22,30H,7-10,12-13H2/t17-,19+,20+/m0/s1
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2.90 -12.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50447405
PNG
(CHEMBL3114914)
Show SMILES NC(=NCc1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
Show InChI InChI=1S/C15H12F4N2O/c16-12-3-1-2-10(8-12)9-21-14(20)11-4-6-13(7-5-11)22-15(17,18)19/h1-8H,9H2,(H2,20,21)
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2.90n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 828-30 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.087
BindingDB Entry DOI: 10.7270/Q2XK8H20
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198692
PNG
(US9221796, 22)
Show SMILES Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3
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2.90 -12.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617050
PNG
(US11752155, Compound III-E1-37.1B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ccncn1)C(=O)OC1Cc2ccccc2C1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198663
PNG
(US9221796, 1)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2
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3 -12.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423285
PNG
(US10501451, Example 11, P-1 | US10501451, Example ...)
Show SMILES Cc1ccc(CN2OCCC(N3CCC(C(F)C3)c3ccc(O)c(F)c3)C2=O)cc1
Show InChI InChI=1S/C23H26F2N2O3/c1-15-2-4-16(5-3-15)13-27-23(29)21(9-11-30-27)26-10-8-18(20(25)14-26)17-6-7-22(28)19(24)12-17/h2-7,12,18,20-21,28H,8-11,13-14H2,1H3
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3.06n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 μg/well). The experimental co...


US Patent US10954225 (2021)


BindingDB Entry DOI: 10.7270/Q2DR2ZMB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423285
PNG
(US10501451, Example 11, P-1 | US10501451, Example ...)
Show SMILES Cc1ccc(CN2OCCC(N3CCC(C(F)C3)c3ccc(O)c(F)c3)C2=O)cc1
Show InChI InChI=1S/C23H26F2N2O3/c1-15-2-4-16(5-3-15)13-27-23(29)21(9-11-30-27)26-10-8-18(20(25)14-26)17-6-7-22(28)19(24)12-17/h2-7,12,18,20-21,28H,8-11,13-14H2,1H3
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3.06n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding experiments to determine binding to NR2B-subtype NMDA receptors were performed on forebrains of 8-10 weeks old male Sprague Dawley rats (Harl...


US Patent US10501451 (2019)


BindingDB Entry DOI: 10.7270/Q2GB26FG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50143890
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...)
Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)
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3.09n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198722
PNG
(US9221796, 45, P-2)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r|
Show InChI InChI=1S/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21+/m0/s1
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3.10 -12.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423283
PNG
(US10501451, Example 10, P-1 | US10501451, Example ...)
Show SMILES Cc1ccc(CN2OCC(N3CCN(CC3)c3ccc(O)cn3)C2=O)cc1
Show InChI InChI=1S/C20H24N4O3/c1-15-2-4-16(5-3-15)13-24-20(26)18(14-27-24)22-8-10-23(11-9-22)19-7-6-17(25)12-21-19/h2-7,12,18,25H,8-11,13-14H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding experiments to determine binding to NR2B-subtype NMDA receptors were performed on forebrains of 8-10 weeks old male Sprague Dawley rats (Harl...


US Patent US10501451 (2019)


BindingDB Entry DOI: 10.7270/Q2GB26FG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM423283
PNG
(US10501451, Example 10, P-1 | US10501451, Example ...)
Show SMILES Cc1ccc(CN2OCC(N3CCN(CC3)c3ccc(O)cn3)C2=O)cc1
Show InChI InChI=1S/C20H24N4O3/c1-15-2-4-16(5-3-15)13-24-20(26)18(14-27-24)22-8-10-23(11-9-22)19-7-6-17(25)12-21-19/h2-7,12,18,25H,8-11,13-14H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 μg/well). The experimental co...


US Patent US10954225 (2021)


BindingDB Entry DOI: 10.7270/Q2DR2ZMB
More data for this
Ligand-Target Pair
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