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Compile Data Set for Download or QSAR

Found 21 hits of ph data with Target = 'NMDA receptor subtype 2A protein (NR2A)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287586
PNG
(US10420768, Compound C-2 | US9567341, Compound C-2)
Show SMILES Fc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H19F3N6/c19-12-1-2-15(23-9-12)18(20,21)10-27-7-4-13(5-8-27)26-17-14-3-6-22-16(14)24-11-25-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,22,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287606
PNG
(US10420768, Compound C-177 | US9567341, Compound C...)
Show SMILES Cc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H23F2N5/c1-14-2-4-15(5-3-14)20(21,22)12-27-10-7-16(8-11-27)26-19-17-6-9-23-18(17)24-13-25-19/h2-6,9,13,16H,7-8,10-12H2,1H3,(H2,23,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287588
PNG
(US10420768, Compound C-4 | US9567341, Compound C-4...)
Show SMILES Cc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22F2N6/c1-13-2-3-16(23-10-13)19(20,21)11-27-8-5-14(6-9-27)26-18-15-4-7-22-17(15)24-12-25-18/h2-4,7,10,12,14H,5-6,8-9,11H2,1H3,(H2,22,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287589
PNG
(US10420768, Compound C-5 | US9567341, Compound C-5...)
Show SMILES FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,15-2-1-12(9-26-15)19(22,23)24)10-30-7-4-13(5-8-30)29-17-14-3-6-25-16(14)27-11-28-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,25,27,28,29)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287590
PNG
(US10420768, Compound C-16 | US9567341, Compound C-...)
Show SMILES Fc1cc(Cl)cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H18ClF3N6/c19-11-7-14(20)15(24-8-11)18(21,22)9-28-5-2-12(3-6-28)27-17-13-1-4-23-16(13)25-10-26-17/h1,4,7-8,10,12H,2-3,5-6,9H2,(H2,23,25,26,27)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287591
PNG
(US10420768, Compound C-18 | US9567341, Compound C-...)
Show SMILES Fc1cc(cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C19H18F6N6/c20-14-7-11(19(23,24)25)8-27-15(14)18(21,22)9-31-5-2-12(3-6-31)30-17-13-1-4-26-16(13)28-10-29-17/h1,4,7-8,10,12H,2-3,5-6,9H2,(H2,26,28,29,30)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287592
PNG
(US10420768, Compound C-17 | US9567341, Compound C-...)
Show SMILES Cc1cnc(c(F)c1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H21F3N6/c1-12-8-15(20)16(24-9-12)19(21,22)10-28-6-3-13(4-7-28)27-18-14-2-5-23-17(14)25-11-26-18/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,23,25,26,27)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287593
PNG
(US10420768, Compound C-47 | US9567341, Compound C-...)
Show SMILES CN(C1CCN(CC(F)(F)c2ccc(C)cn2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H24F2N6/c1-14-3-4-17(24-11-14)20(21,22)12-28-9-6-15(7-10-28)27(2)19-16-5-8-23-18(16)25-13-26-19/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,23,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287594
PNG
(US10420768, Compound C-230 | US9567341, Compound C...)
Show SMILES Cc1cnc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H21F2N7/c1-12-8-23-15(9-22-12)18(19,20)10-27-6-3-13(4-7-27)26-17-14-2-5-21-16(14)24-11-25-17/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,21,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM280723
PNG
(N-(1-(2,2-difluoro-2-(pyridin-2-yl)ethyl)piperidin...)
Show SMILES FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ncc12)c1ccccn1
Show InChI InChI=1S/C17H19F2N7/c18-17(19,14-3-1-2-6-20-14)10-26-7-4-12(5-8-26)24-15-13-9-23-25-16(13)22-11-21-15/h1-3,6,9,11-12H,4-5,7-8,10H2,(H2,21,22,23,24,25)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287596
PNG
(US10420768, Compound C-127 | US9567341, Compound C...)
Show SMILES FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19F5N6/c20-18(21,12-1-2-15(26-9-12)19(22,23)24)10-30-7-4-13(5-8-30)29-17-14-3-6-25-16(14)27-11-28-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,25,27,28,29)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287597
PNG
(US10420768, Compound C-128 | US9567341, Compound C...)
Show SMILES Cc1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22F2N6/c1-13-2-3-14(10-23-13)19(20,21)11-27-8-5-15(6-9-27)26-18-16-4-7-22-17(16)24-12-25-18/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3,(H2,22,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287598
PNG
(BDBM413606 | US9567341, Compound C-6)
Show SMILES FC(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H20F4N6/c20-16(21)12-1-2-15(25-9-12)19(22,23)10-29-7-4-13(5-8-29)28-18-14-3-6-24-17(14)26-11-27-18/h1-3,6,9,11,13,16H,4-5,7-8,10H2,(H2,24,26,27,28)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287599
PNG
(BDBM413607 | US9567341, Compound C-7)
Show SMILES FCc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H21F3N6/c20-9-13-1-2-16(24-10-13)19(21,22)11-28-7-4-14(5-8-28)27-18-15-3-6-23-17(15)25-12-26-18/h1-3,6,10,12,14H,4-5,7-9,11H2,(H2,23,25,26,27)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287600
PNG
(US10420768, Compound C-11 | US9567341, Compound C-...)
Show SMILES FC(F)(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19F5N6O/c20-18(21,15-2-1-13(9-26-15)31-19(22,23)24)10-30-7-4-12(5-8-30)29-17-14-3-6-25-16(14)27-11-28-17/h1-3,6,9,11-12H,4-5,7-8,10H2,(H2,25,27,28,29)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287601
PNG
(US10420768, Compound C-12 | US9567341, Compound C-...)
Show SMILES FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccccn1
Show InChI InChI=1S/C18H20F2N6/c19-18(20,15-3-1-2-7-21-15)11-26-9-5-13(6-10-26)25-17-14-4-8-22-16(14)23-12-24-17/h1-4,7-8,12-13H,5-6,9-11H2,(H2,22,23,24,25)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287602
PNG
(US10420768, Compound C-178 | US9567341, Compound C...)
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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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287603
PNG
(BDBM393497 | BDBM413611 | US9567341, Compound C-17...)
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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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287604
PNG
(US10420768, Compound C-175 | US9567341, Compound C...)
Show SMILES Fc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H20F3N5/c20-14-3-1-13(2-4-14)19(21,22)11-27-9-6-15(7-10-27)26-18-16-5-8-23-17(16)24-12-25-18/h1-5,8,12,15H,6-7,9-11H2,(H2,23,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287605
PNG
(US10420768, Compound C-176 | US9567341, Compound C...)
Show SMILES FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClF2N5/c20-14-3-1-13(2-4-14)19(21,22)11-27-9-6-15(7-10-27)26-18-16-5-8-23-17(16)24-12-25-18/h1-5,8,12,15H,6-7,9-11H2,(H2,23,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A)


(Homo sapiens (Human))
BDBM287587
PNG
(US10420768, Compound C-3 | US9567341, Compound C-3...)
Show SMILES FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H19ClF2N6/c19-12-1-2-15(23-9-12)18(20,21)10-27-7-4-13(5-8-27)26-17-14-3-6-22-16(14)24-11-25-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,22,24,25,26)
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n/an/a>1.00E+7n/an/an/an/a7.4n/a



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD ...


US Patent US9567341 (2017)


BindingDB Entry DOI: 10.7270/Q2DN473N
More data for this
Ligand-Target Pair