BindingDB logo
myBDB logout

Patent code US10323021

Compile Data Set for Download or QSAR

Found 206 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
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396904
PNG
(US9981950, Example 113B)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.480n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396904
PNG
(US9981950, Example 113B)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.480n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM398608
PNG
(US10323021, Example 114)
Show SMILES CC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2N)nn1
Show InChI InChI=1S/C14H13ClF2N6/c1-14(16,17)11-6-10(2-3-12(11)15)23-8-9(20-21-23)7-22-5-4-19-13(22)18/h2-6,8H,7H2,1H3,(H2,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.510n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM398608
PNG
(US10323021, Example 114)
Show SMILES CC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2N)nn1
Show InChI InChI=1S/C14H13ClF2N6/c1-14(16,17)11-6-10(2-3-12(11)15)23-8-9(20-21-23)7-22-5-4-19-13(22)18/h2-6,8H,7H2,1H3,(H2,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.510n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396901
PNG
(US9981950, Example 110)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C13H11ClF2N6O/c14-10-2-1-9(5-11(10)23-12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.520n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396901
PNG
(US9981950, Example 110)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C13H11ClF2N6O/c14-10-2-1-9(5-11(10)23-12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.520n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396903
PNG
(US9981950, Example 113A)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C13H11ClF2N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.650n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396903
PNG
(US9981950, Example 113A)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C13H11ClF2N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.650n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396887
PNG
(US9981950, Example 94)
Show SMILES FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Show InChI InChI=1S/C16H14ClF2N5O/c17-13-4-3-12(7-14(13)25-16(18)19)24-9-11(21-22-24)8-23-6-5-20-15(23)10-1-2-10/h3-7,9-10,16H,1-2,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396889
PNG
(US9981950, Example 96)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-12(16)13(7-11)24-15(17)18/h3-7,9,15H,2,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396889
PNG
(US9981950, Example 96)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-12(16)13(7-11)24-15(17)18/h3-7,9,15H,2,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396848
PNG
(US9981950, Example 55)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H14ClN5/c1-10-7-13(3-4-14(10)15)20-9-12(17-18-20)8-19-6-5-16-11(19)2/h3-7,9H,8H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.64n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396848
PNG
(US9981950, Example 55)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H14ClN5/c1-10-7-13(3-4-14(10)15)20-9-12(17-18-20)8-19-6-5-16-11(19)2/h3-7,9H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.64n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396863
PNG
(US9981950, Example 70)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C15H16ClN5/c1-3-15-17-6-7-20(15)9-12-10-21(19-18-12)13-4-5-14(16)11(2)8-13/h4-8,10H,3,9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.84n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396863
PNG
(US9981950, Example 70)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C15H16ClN5/c1-3-15-17-6-7-20(15)9-12-10-21(19-18-12)13-4-5-14(16)11(2)8-13/h4-8,10H,3,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.84n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396893
PNG
(US9981950, Example 100)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Show InChI InChI=1S/C14H12F3N5O/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-12(15)13(6-11)23-14(16)17/h2-6,8,14H,7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396893
PNG
(US9981950, Example 100)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Show InChI InChI=1S/C14H12F3N5O/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-12(15)13(6-11)23-14(16)17/h2-6,8,14H,7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396902
PNG
(US9981950, Example 111)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-9-3-8(12(15)16)4-11(5-9)22-7-10(19-20-22)6-21-2-1-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396902
PNG
(US9981950, Example 111)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-9-3-8(12(15)16)4-11(5-9)22-7-10(19-20-22)6-21-2-1-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396891
PNG
(US9981950, Example 98)
Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.26n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396891
PNG
(US9981950, Example 98)
Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.26n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396884
PNG
(US9981950, Example 91)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C15H14ClF2N5/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-13(16)12(7-11)15(17)18/h3-7,9,15H,2,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.43n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396884
PNG
(US9981950, Example 91)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C15H14ClF2N5/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-13(16)12(7-11)15(17)18/h3-7,9,15H,2,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.43n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396890
PNG
(US9981950, Example 97)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H16ClF2N5O/c1-10(2)15-20-5-6-23(15)8-11-9-24(22-21-11)12-3-4-13(17)14(7-12)25-16(18)19/h3-7,9-10,16H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.12n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396890
PNG
(US9981950, Example 97)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H16ClF2N5O/c1-10(2)15-20-5-6-23(15)8-11-9-24(22-21-11)12-3-4-13(17)14(7-12)25-16(18)19/h3-7,9-10,16H,8H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.12n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396882
PNG
(US9981950, Example 89)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C14H12ClF2N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.37n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396882
PNG
(US9981950, Example 89)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C14H12ClF2N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.37n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396878
PNG
(US9981950, Example 85)
Show SMILES CCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C16H16F3N5/c1-2-3-15-20-6-7-23(15)9-11-10-24(22-21-11)12-4-5-14(17)13(8-12)16(18)19/h4-8,10,16H,2-3,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396878
PNG
(US9981950, Example 85)
Show SMILES CCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C16H16F3N5/c1-2-3-15-20-6-7-23(15)9-11-10-24(22-21-11)12-4-5-14(17)13(8-12)16(18)19/h4-8,10,16H,2-3,9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396874
PNG
(US9981950, Example 81)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C14H12F3N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.83n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396874
PNG
(US9981950, Example 81)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C14H12F3N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.83n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396887
PNG
(US9981950, Example 94)
Show SMILES FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Show InChI InChI=1S/C16H14ClF2N5O/c17-13-4-3-12(7-14(13)25-16(18)19)24-9-11(21-22-24)8-23-6-5-20-15(23)10-1-2-10/h3-7,9-10,16H,1-2,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.91n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396887
PNG
(US9981950, Example 94)
Show SMILES FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Show InChI InChI=1S/C16H14ClF2N5O/c17-13-4-3-12(7-14(13)25-16(18)19)24-9-11(21-22-24)8-23-6-5-20-15(23)10-1-2-10/h3-7,9-10,16H,1-2,8H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.91n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396898
PNG
(US9981950, Example 105)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(C)(F)F
Show InChI InChI=1S/C15H14F3N5/c1-10-19-5-6-22(10)8-11-9-23(21-20-11)12-3-4-14(16)13(7-12)15(2,17)18/h3-7,9H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.05n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396898
PNG
(US9981950, Example 105)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(C)(F)F
Show InChI InChI=1S/C15H14F3N5/c1-10-19-5-6-22(10)8-11-9-23(21-20-11)12-3-4-14(16)13(7-12)15(2,17)18/h3-7,9H,8H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.05n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396876
PNG
(US9981950, Example 83)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C15H14F3N5/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-13(16)12(7-11)15(17)18/h3-7,9,15H,2,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.11n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396876
PNG
(US9981950, Example 83)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C15H14F3N5/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-13(16)12(7-11)15(17)18/h3-7,9,15H,2,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.11n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396894
PNG
(US9981950, Example 101)
Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Show InChI InChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.26n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396894
PNG
(US9981950, Example 101)
Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Show InChI InChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.26n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396879
PNG
(US9981950, Example 86)
Show SMILES CCCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C17H18F3N5/c1-2-3-4-16-21-7-8-24(16)10-12-11-25(23-22-12)13-5-6-15(18)14(9-13)17(19)20/h5-9,11,17H,2-4,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.29n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396879
PNG
(US9981950, Example 86)
Show SMILES CCCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C17H18F3N5/c1-2-3-4-16-21-7-8-24(16)10-12-11-25(23-22-12)13-5-6-15(18)14(9-13)17(19)20/h5-9,11,17H,2-4,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.29n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396864
PNG
(US9981950, Example 71)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C16H18ClN5/c1-11(2)16-18-6-7-21(16)9-13-10-22(20-19-13)14-4-5-15(17)12(3)8-14/h4-8,10-11H,9H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.47n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396864
PNG
(US9981950, Example 71)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C16H18ClN5/c1-11(2)16-18-6-7-21(16)9-13-10-22(20-19-13)14-4-5-15(17)12(3)8-14/h4-8,10-11H,9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.47n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396826
PNG
(US9981950, Example 33)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H13Cl2N5/c1-2-14-17-5-6-20(14)8-10-9-21(19-18-10)11-3-4-12(15)13(16)7-11/h3-7,9H,2,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.65n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396826
PNG
(US9981950, Example 33)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H13Cl2N5/c1-2-14-17-5-6-20(14)8-10-9-21(19-18-10)11-3-4-12(15)13(16)7-11/h3-7,9H,2,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.65n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396824
PNG
(2-methyl-1H- imidazole 1-(4-Chloro-phenyl)-4-(3-me...)
Show SMILES Cc1nncn1Cc1cn(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN6/c1-9-15-14-8-18(9)6-11-7-19(17-16-11)12-4-2-10(13)3-5-12/h2-5,7-8H,6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.92n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396835
PNG
(US9981950, Example 42)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFN5/c1-2-14-17-5-6-20(14)8-10-9-21(19-18-10)11-3-4-13(16)12(15)7-11/h3-7,9H,2,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.02n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396835
PNG
(US9981950, Example 42)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFN5/c1-2-14-17-5-6-20(14)8-10-9-21(19-18-10)11-3-4-13(16)12(15)7-11/h3-7,9H,2,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.02n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396885
PNG
(US9981950, Example 92)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C16H16ClF2N5/c1-10(2)16-20-5-6-23(16)8-11-9-24(22-21-11)12-3-4-14(17)13(7-12)15(18)19/h3-7,9-10,15H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.24n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
TBD


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2A/2B


(Rattus norvegicus (Rat))
BDBM396885
PNG
(US9981950, Example 92)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C16H16ClF2N5/c1-10(2)16-20-5-6-23(16)8-11-9-24(22-21-11)12-3-4-14(17)13(7-12)15(18)19/h3-7,9-10,15H,8H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.24n/an/an/an/an/an/a



JANSSEN PHARMACEUTICALS, INC.

US Patent


Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


US Patent US10323021 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 206 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%