Compile Data Set for Download or QSAR
Found 16 for UniProtKB: O60391
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557699(US11358971, Compound 1h | US11466027, Compound 1l)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(Br)c2s1)C(O)=O
Show InChI InChI=1S/C11H10BrN3O3S/c12-5-1-2-14-7-3-8(19-9(5)7)10(16)15-4-6(13)11(17)18/h1-3,6H,4,13H2,(H,15,16)(H,17,18)/t6-/m1/s1
Affinity DataKi:  63nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557694(US11358971, Compound 1c | US11466027, Compound 1e)
Show SMILES Cc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C12H13N3O3S/c1-6-2-3-14-8-4-9(19-10(6)8)11(16)15-5-7(13)12(17)18/h2-4,7H,5,13H2,1H3,(H,15,16)(H,17,18)/t7-/m1/s1
Affinity DataKi:  96nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557693(US11358971, Compound 1b | US11466027, Compound 1d)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(C3CC3)c2s1)C(O)=O
Show InChI InChI=1S/C14H15N3O3S/c15-9(14(19)20)6-17-13(18)11-5-10-12(21-11)8(3-4-16-10)7-1-2-7/h3-5,7,9H,1-2,6,15H2,(H,17,18)(H,19,20)/t9-/m1/s1
Affinity DataKi:  140nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557667(US11358971, Compound 1a | US11466027, Compound 1c)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(O)=O
Show InChI InChI=1S/C12H11F2N3O3S/c13-10(14)5-1-2-16-7-3-8(21-9(5)7)11(18)17-4-6(15)12(19)20/h1-3,6,10H,4,15H2,(H,17,18)(H,19,20)/t6-/m1/s1
Affinity DataKi:  170nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557701(US11358971, Compound 1j | US11466027, Compound 1n)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(CF)c2s1)C(O)=O
Show InChI InChI=1S/C12H12FN3O3S/c13-4-6-1-2-15-8-3-9(20-10(6)8)11(17)16-5-7(14)12(18)19/h1-3,7H,4-5,14H2,(H,16,17)(H,18,19)/t7-/m1/s1
Affinity DataKi:  180nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM576021((R)-2-amino-3-[(7- isopropylthieno[3,2- b]pyridine...)
Show SMILES CC(C)c1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C14H17N3O3S/c1-7(2)8-3-4-16-10-5-11(21-12(8)10)13(18)17-6-9(15)14(19)20/h3-5,7,9H,6,15H2,1-2H3,(H,17,18)(H,19,20)/t9-/m1/s1
Affinity DataKi:  220nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557698(US11358971, Compound 1g | US11466027, Compound 1k)
Show SMILES CC(C)Oc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C14H17N3O4S/c1-7(2)21-10-3-4-16-9-5-11(22-12(9)10)13(18)17-6-8(15)14(19)20/h3-5,7-8H,6,15H2,1-2H3,(H,17,18)(H,19,20)/t8-/m1/s1
Affinity DataKi:  220nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557702(US11358971, Compound 1k | US11466027, Compound 1o)
Show SMILES Cc1c(F)cnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C12H12FN3O3S/c1-5-6(13)3-15-8-2-9(20-10(5)8)11(17)16-4-7(14)12(18)19/h2-3,7H,4,14H2,1H3,(H,16,17)(H,18,19)/t7-/m1/s1
Affinity DataKi:  260nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM576017((R)-2-amino-3-[(7- ethylthieno[3,2-b]pyridine- 2- ...)
Show SMILES CCc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C13H15N3O3S/c1-2-7-3-4-15-9-5-10(20-11(7)9)12(17)16-6-8(14)13(18)19/h3-5,8H,2,6,14H2,1H3,(H,16,17)(H,18,19)/t8-/m1/s1
Affinity DataKi:  270nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557697(US11358971, Compound 1f | US11466027, Compound 1i)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(c2s1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C12H10F3N3O3S/c13-12(14,15)5-1-2-17-7-3-8(22-9(5)7)10(19)18-4-6(16)11(20)21/h1-3,6H,4,16H2,(H,18,19)(H,20,21)/t6-/m1/s1
Affinity DataKi:  360nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557703(US11358971, Compound 1l | US11466027, Compound 1p)
Show SMILES Cc1cnc2cc(sc2c1C)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C13H15N3O3S/c1-6-4-15-9-3-10(20-11(9)7(6)2)12(17)16-5-8(14)13(18)19/h3-4,8H,5,14H2,1-2H3,(H,16,17)(H,18,19)/t8-/m1/s1
Affinity DataKi:  490nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557696(US11358971, Compound 1e | US11466027, Compound 1h)
Show SMILES COc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C12H13N3O4S/c1-19-8-2-3-14-7-4-9(20-10(7)8)11(16)15-5-6(13)12(17)18/h2-4,6H,5,13H2,1H3,(H,15,16)(H,17,18)/t6-/m1/s1
Affinity DataKi:  690nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557695(US11358971, Compound 1d | US11466027, Compound 1g)
Show SMILES CCc1ccccc1-c1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C19H19N3O3S/c1-2-11-5-3-4-6-12(11)13-7-8-21-15-9-16(26-17(13)15)18(23)22-10-14(20)19(24)25/h3-9,14H,2,10,20H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1
Affinity DataKi:  860nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM576026((R)-2-amino-3-[(7- ethoxythieno[3,2- b]pyridine-2-...)
Show SMILES CCOc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C13H15N3O4S/c1-2-20-9-3-4-15-8-5-10(21-11(8)9)12(17)16-6-7(14)13(18)19/h3-5,7H,2,6,14H2,1H3,(H,16,17)(H,18,19)/t7-/m1/s1
Affinity DataKi:  870nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM557700(US11358971, Compound 1i | US11466027, Compound 1m)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(CO)c2s1)C(O)=O
Show InChI InChI=1S/C12H13N3O4S/c13-7(12(18)19)4-15-11(17)9-3-8-10(20-9)6(5-16)1-2-14-8/h1-3,7,16H,4-5,13H2,(H,15,17)(H,18,19)/t7-/m1/s1
Affinity DataKi:  3.90E+3nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlutamate receptor ionotropic, NMDA 1/2C/3B(Homo sapiens (Human))
H. Lundbeck A/S

US Patent
LigandPNGBDBM575980((R)-2-amino-3-[[7- thieno[3,2-b]pyridine-2- carbon...)
Show SMILES N[C@H](CNC(=O)c1cc2ncccc2s1)C(O)=O
Show InChI InChI=1S/C11H11N3O3S/c12-6(11(16)17)5-14-10(15)9-4-7-8(18-9)2-1-3-13-7/h1-4,6H,5,12H2,(H,14,15)(H,16,17)/t6-/m1/s1
Affinity DataKi:  7.40E+3nMAssay Description:To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid