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Patent code US10071988

Compile Data Set for Download or QSAR

Found 647 hits of Enzyme Inhibition Constant Data   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276134
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1
Show InChI InChI=1S/C14H11BrFN5O2/c1-22-11-5-17-14(18-6-11)23-8-9-7-21(20-19-9)10-2-3-13(16)12(15)4-10/h2-7H,8H2,1H3
PDB
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276537
PNG
(2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1
Show InChI InChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-12-8-21(20-19-12)13-3-4-14(16)11(2)5-13/h3-8H,9H2,1-2H3
PDB
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276144
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1
Show InChI InChI=1S/C15H12F3N5O/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-13(16)12(4-11)14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276506
PNG
(2-[[1-[4-Fluoro-3-(trifluoromethyl)phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1C
Show InChI InChI=1S/C16H13F4N5O/c1-9-6-21-15(22-10(9)2)26-8-11-7-25(24-23-11)12-3-4-14(17)13(5-12)16(18,19)20/h3-7H,8H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276540
PNG
(2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(C)c(C)n2)nn1
Show InChI InChI=1S/C16H16FN5O/c1-10-6-14(4-5-15(10)17)22-8-13(20-21-22)9-23-16-18-7-11(2)12(3)19-16/h4-8H,9H2,1-3H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276124
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1
Show InChI InChI=1S/C15H12ClF2N5O/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-13(16)12(4-11)14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276535
PNG
(2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1
Show InChI InChI=1S/C15H14FN5O2/c1-10-5-12(3-4-14(10)16)21-8-11(19-20-21)9-23-15-17-6-13(22-2)7-18-15/h3-8H,9H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276538
PNG
(5-Ethyl-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4-...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1
Show InChI InChI=1S/C16H16FN5O/c1-3-12-7-18-16(19-8-12)23-10-13-9-22(21-20-13)14-4-5-15(17)11(2)6-14/h4-9H,3,10H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276139
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1
Show InChI InChI=1S/C15H12ClF2N5O2/c1-24-11-5-19-15(20-6-11)25-8-9-7-23(22-21-9)10-2-3-13(16)12(4-10)14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276468
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)ncc1F
Show InChI InChI=1S/C15H11F4N5O/c1-8-13(17)5-20-15(21-8)25-7-9-6-24(23-22-9)10-2-3-12(16)11(4-10)14(18)19/h2-6,14H,7H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276542
PNG
(5-Chloro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(Cl)c(C)n2)nn1
Show InChI InChI=1S/C15H13ClFN5O/c1-9-5-12(3-4-14(9)17)22-7-11(20-21-22)8-23-15-18-6-13(16)10(2)19-15/h3-7H,8H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276109
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1
Show InChI InChI=1S/C14H11BrFN5O/c1-9-5-17-14(18-6-9)22-8-10-7-21(20-19-10)11-2-3-13(16)12(15)4-11/h2-7H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276467
PNG
(5-Chloro-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)ncc1Cl
Show InChI InChI=1S/C15H11ClF3N5O/c1-8-12(16)5-20-15(21-8)25-7-9-6-24(23-22-9)10-2-3-13(17)11(4-10)14(18)19/h2-6,14H,7H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276133
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1
Show InChI InChI=1S/C15H13BrFN5O/c1-2-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-8H,2,9H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276363
PNG
(2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...)
Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(cn2)C(F)F)nn1
Show InChI InChI=1S/C16H13F4N5O/c1-16(19,20)11-3-2-4-13(5-11)25-8-12(23-24-25)9-26-15-21-6-10(7-22-15)14(17)18/h2-8,14H,9H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276536
PNG
(5-Chloro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C14H11ClFN5O/c1-9-4-12(2-3-13(9)16)21-7-11(19-20-21)8-22-14-17-5-10(15)6-18-14/h2-7H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276312
PNG
(4,5-Dimethyl-2-[[1-(m-tolyl)triazol-4-yl]methoxy]p...)
Show SMILES Cc1cccc(c1)-n1cc(COc2ncc(C)c(C)n2)nn1
Show InChI InChI=1S/C16H17N5O/c1-11-5-4-6-15(7-11)21-9-14(19-20-21)10-22-16-17-8-12(2)13(3)18-16/h4-9H,10H2,1-3H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276121
PNG
(5-Chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C14H9Cl2F2N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276469
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1C
Show InChI InChI=1S/C16H14F3N5O/c1-9-6-20-16(21-10(9)2)25-8-11-7-24(23-22-11)12-3-4-14(17)13(5-12)15(18)19/h3-7,15H,8H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276125
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1
Show InChI InChI=1S/C16H14ClF2N5O/c1-2-10-6-20-16(21-7-10)25-9-11-8-24(23-22-11)12-3-4-14(17)13(5-12)15(18)19/h3-8,15H,2,9H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276114
PNG
(2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...)
Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)n1
Show InChI InChI=1S/C15H12ClF2N5O2/c1-9-4-5-19-15(20-9)24-8-10-7-23(22-21-10)11-2-3-12(16)13(6-11)25-14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276115
PNG
(2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1
Show InChI InChI=1S/C15H12ClF2N5O2/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-12(16)13(4-11)25-14(17)18/h2-7,14H,8H2,1H3
PDB
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276541
PNG
(5-Fluoro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(F)c(C)n2)nn1
Show InChI InChI=1S/C15H13F2N5O/c1-9-5-12(3-4-13(9)16)22-7-11(20-21-22)8-23-15-18-6-14(17)10(2)19-15/h3-7H,8H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276459
PNG
(5-Bromo-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl]...)
Show SMILES FC(F)c1cc(ccc1F)-n1cc(COc2ncc(Br)cn2)nn1
Show InChI InChI=1S/C14H9BrF3N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276681
PNG
(2-[[1-(3-Chloro-4-fluoro-phenyl)triazol-4-yl]metho...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C15H13ClFN5O/c1-2-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-8H,2,9H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276554
PNG
(5-Bromo-2-[[1-[3-(difluoromethoxy)-4-fluoro-phenyl...)
Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(Br)cn2)nn1
Show InChI InChI=1S/C14H9BrF3N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276594
PNG
(2-[[1-[4-Chloro-3-(1,1-difluoroethyl)phenyl]triazo...)
Show SMILES COCc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(C)(F)F)n1
Show InChI InChI=1S/C17H16ClF2N5O2/c1-17(19,20)14-7-13(3-4-15(14)18)25-8-12(23-24-25)10-27-16-21-6-5-11(22-16)9-26-2/h3-8H,9-10H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276142
PNG
(5-Chloro-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl...)
Show SMILES FC(F)c1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C14H9ClF3N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276178
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1C
Show InChI InChI=1S/C15H13BrFN5O/c1-9-6-18-15(19-10(9)2)23-8-11-7-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-7H,8H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276466
PNG
(5-(Difluoromethoxy)-2-[[1-[3-(difluoromethyl)-4-fl...)
Show SMILES FC(F)Oc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1
Show InChI InChI=1S/C15H10F5N5O2/c16-12-2-1-9(3-11(12)13(17)18)25-6-8(23-24-25)7-26-15-21-4-10(5-22-15)27-14(19)20/h1-6,13-14H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276119
PNG
(2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1
Show InChI InChI=1S/C15H12ClF2N5O3/c1-24-11-5-19-15(20-6-11)25-8-9-7-23(22-21-9)10-2-3-12(16)13(4-10)26-14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276369
PNG
(2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...)
Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(OC(F)F)cn2)nn1
Show InChI InChI=1S/C16H13F4N5O2/c1-16(19,20)10-3-2-4-12(5-10)25-8-11(23-24-25)9-26-15-21-6-13(7-22-15)27-14(17)18/h2-8,14H,9H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276154
PNG
(5-Chloro-2-[[1-[3-(difluoromethoxy)-4-fluoro-pheny...)
Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C14H9ClF3N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276174
PNG
(2-[[1-[4-Fluoro-3-(trifluoromethyl)phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C15H11F4N5O/c1-9-5-20-14(21-6-9)25-8-10-7-24(23-22-10)11-2-3-13(16)12(4-11)15(17,18)19/h2-7H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276340
PNG
(5-Chloro-2-[[1-[3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2cccc(c2)C(F)F)ncc1Cl
Show InChI InChI=1S/C15H12ClF2N5O/c1-9-13(16)6-19-15(20-9)24-8-11-7-23(22-21-11)12-4-2-3-10(5-12)14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276355
PNG
(5-Chloro-2-[[1-[3-(1,1-difluoroethyl)phenyl]triazo...)
Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C15H12ClF2N5O/c1-15(17,18)10-3-2-4-13(5-10)23-8-12(21-22-23)9-24-14-19-6-11(16)7-20-14/h2-8H,9H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276569
PNG
(4-(Azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-flu...)
Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2nccc(n2)N2CCC2)nn1
Show InChI InChI=1S/C17H15F3N6O2/c18-13-3-2-12(8-14(13)28-16(19)20)26-9-11(23-24-26)10-27-17-21-5-4-15(22-17)25-6-1-7-25/h2-5,8-9,16H,1,6-7,10H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276135
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Fc1ccc(cc1Br)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C13H8BrClFN5O/c14-11-3-10(1-2-12(11)16)21-6-9(19-20-21)7-22-13-17-4-8(15)5-18-13/h1-6H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276140
PNG
(5-Chloro-2-[[1-[4-chloro-3-(difluoromethyl)phenyl]...)
Show SMILES FC(F)c1cc(ccc1Cl)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C14H9Cl2F2N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276367
PNG
(2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2cccc(c2)C(C)(F)F)nc1
Show InChI InChI=1S/C16H15F2N5O2/c1-16(17,18)11-4-3-5-13(6-11)23-9-12(21-22-23)10-25-15-19-7-14(24-2)8-20-15/h3-9H,10H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276156
PNG
(2-[[1-[3-(Difluoromethoxy)-4-fluoro-phenyl]triazol...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)nc1
Show InChI InChI=1S/C15H12F3N5O2/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-12(16)13(4-11)25-14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276573
PNG
(5-Chloro-2-[[1-[3-(difluoromethoxy)-4-fluoro-pheny...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)ncc1Cl
Show InChI InChI=1S/C15H11ClF3N5O2/c1-8-11(16)5-20-15(21-8)25-7-9-6-24(23-22-9)10-2-3-12(17)13(4-10)26-14(18)19/h2-6,14H,7H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276179
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1C
Show InChI InChI=1S/C16H14ClF2N5O/c1-9-6-20-16(21-10(9)2)25-8-11-7-24(23-22-11)12-3-4-14(17)13(5-12)15(18)19/h3-7,15H,8H2,1-2H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276138
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES FC(F)c1cc(ccc1Cl)-n1cc(COc2ncc(cn2)C(F)(F)F)nn1
Show InChI InChI=1S/C15H9ClF5N5O/c16-12-2-1-10(3-11(12)13(17)18)26-6-9(24-25-26)7-27-14-22-4-8(5-23-14)15(19,20)21/h1-6,13H,7H2
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276123
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)n1
Show InChI InChI=1S/C15H12ClF2N5O/c1-9-4-5-19-15(20-9)24-8-10-7-23(22-21-10)11-2-3-13(16)12(6-11)14(17)18/h2-7,14H,8H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276503
PNG
(5-Ethoxy-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl...)
Show SMILES CCOc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1
Show InChI InChI=1S/C16H13F4N5O2/c1-2-26-12-6-21-15(22-7-12)27-9-10-8-25(24-23-10)11-3-4-14(17)13(5-11)16(18,19)20/h3-8H,2,9H2,1H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276170
PNG
(2-[[1-[3-(1,1-Difluoroethyl)-4-fluoro-phenyl]triaz...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(C)(F)F)nc1
Show InChI InChI=1S/C16H14F3N5O/c1-10-6-20-15(21-7-10)25-9-11-8-24(23-22-11)12-3-4-14(17)13(5-12)16(2,18)19/h3-8H,9H2,1-2H3
PDB
MMDB

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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276373
PNG
(5-Chloro-2-[[1-[3-(1,1-difluoroethyl)phenyl]triazo...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2cccc(c2)C(C)(F)F)ncc1Cl
Show InChI InChI=1S/C16H14ClF2N5O/c1-10-14(17)7-20-15(21-10)25-9-12-8-24(23-22-12)13-5-3-4-11(6-13)16(2,18)19/h3-8H,9H2,1-2H3
PDB
MMDB

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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276553
PNG
(2-[[1-[3-(Difluoromethoxy)-4-fluoro-phenyl]triazol...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)ncc1F
Show InChI InChI=1S/C15H11F4N5O2/c1-8-12(17)5-20-15(21-8)25-7-9-6-24(23-22-9)10-2-3-11(16)13(4-10)26-14(18)19/h2-6,14H,7H2,1H3
PDB
MMDB

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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM276184
PNG
(2-[[1-[3-(Difluoromethyl)phenyl]triazol-4-yl]metho...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2cccc(c2)C(F)F)nc1
Show InChI InChI=1S/C16H15F2N5O/c1-2-11-7-19-16(20-8-11)24-10-13-9-23(22-21-13)14-5-3-4-12(6-14)15(17)18/h3-9,15H,2,10H2,1H3
PDB
MMDB

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n/an/a 4n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%