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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'pecunioso' and Initial = 'a'   
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
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50038168
PNG
(7-Chloro-4-hydroxy-3-(3-phenoxy-phenyl)-1H-quinoli...)
Show SMILES Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
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1n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471539
PNG
(CHEMBL117627)
Show SMILES Nc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1
Show InChI InChI=1S/C18H13Cl2N3O3/c19-9-7-13(20)16-12(17(18(25)26)23-14(16)8-9)5-6-15(24)22-11-3-1-10(21)2-4-11/h1-8,23H,21H2,(H,22,24)(H,25,26)/p-1/b6-5+
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1.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471520
PNG
(CHEMBL117691)
Show SMILES NC(=O)Nc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1
Show InChI InChI=1S/C19H14Cl2N4O4/c20-9-7-13(21)16-12(17(18(27)28)25-14(16)8-9)5-6-15(26)23-10-1-3-11(4-2-10)24-19(22)29/h1-8,25H,(H,23,26)(H,27,28)(H3,22,24,29)/p-1/b6-5+
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1.60n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471528
PNG
(CHEMBL168394)
Show SMILES Oc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1
Show InChI InChI=1S/C18H12Cl2N2O4/c19-9-7-13(20)16-12(17(18(25)26)22-14(16)8-9)5-6-15(24)21-10-1-3-11(23)4-2-10/h1-8,22-23H,(H,21,24)(H,25,26)/p-1/b6-5+
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2n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471538
PNG
(CHEMBL168754)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O
Show InChI InChI=1S/C18H13Cl2N3O3/c19-9-7-11(20)16-10(17(18(25)26)23-14(16)8-9)5-6-15(24)22-13-4-2-1-3-12(13)21/h1-8,23H,21H2,(H,22,24)(H,25,26)/p-1/b6-5+
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3.20n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471526
PNG
(GAVESTINEL SODIUM | Gavestinel)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/p-1/b7-6+
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3.20n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471544
PNG
(CHEMBL166552)
Show SMILES Oc1ccccc1NC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O
Show InChI InChI=1S/C18H12Cl2N2O4/c19-9-7-11(20)16-10(17(18(25)26)22-13(16)8-9)5-6-15(24)21-12-3-1-2-4-14(12)23/h1-8,22-23H,(H,21,24)(H,25,26)/p-1/b6-5+
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4n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471521
PNG
(CHEMBL355109)
Show SMILES Oc1cccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)c1
Show InChI InChI=1S/C18H12Cl2N2O4/c19-9-6-13(20)16-12(17(18(25)26)22-14(16)7-9)4-5-15(24)21-10-2-1-3-11(23)8-10/h1-8,22-23H,(H,21,24)(H,25,26)/p-1/b5-4+
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4n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471550
PNG
(CHEMBL169566)
Show SMILES Nc1cccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)c1
Show InChI InChI=1S/C18H13Cl2N3O3/c19-9-6-13(20)16-12(17(18(25)26)23-14(16)7-9)4-5-15(24)22-11-3-1-2-10(21)8-11/h1-8,23H,21H2,(H,22,24)(H,25,26)/p-1/b5-4+
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5n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471549
PNG
(CHEMBL262537)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C18H10Cl2F2N2O3/c19-8-5-11(20)16-10(17(18(26)27)24-14(16)6-8)2-4-15(25)23-13-3-1-9(21)7-12(13)22/h1-7,24H,(H,23,25)(H,26,27)/p-1/b4-2+
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5n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471548
PNG
(CHEMBL354980)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1cccc(c1F)[N+]([O-])=O
Show InChI InChI=1S/C18H10Cl2FN3O5/c19-8-6-10(20)15-9(17(18(26)27)23-12(15)7-8)4-5-14(25)22-11-2-1-3-13(16(11)21)24(28)29/h1-7,23H,(H,22,25)(H,26,27)/p-1/b5-4+
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5n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471522
PNG
(CHEMBL433725)
Show SMILES CCOc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1
Show InChI InChI=1S/C20H16Cl2N2O4/c1-2-28-13-5-3-12(4-6-13)23-17(25)8-7-14-18-15(22)9-11(21)10-16(18)24-19(14)20(26)27/h3-10,24H,2H2,1H3,(H,23,25)(H,26,27)/p-1/b8-7+
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5n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471537
PNG
(CHEMBL168465)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H11Cl2FN2O3/c19-9-7-13(20)16-12(17(18(25)26)23-14(16)8-9)5-6-15(24)22-11-3-1-10(21)2-4-11/h1-8,23H,(H,22,24)(H,25,26)/p-1/b6-5+
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6.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50005075
PNG
((2R,4S)-5,7-Dichloro-4-(3-phenyl-ureido)-1,2,3,4-t...)
Show SMILES OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1
Show InChI InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50038161
PNG
(6,7-Dichloro-3-hydroxy-5-nitro-3,4-dihydro-1H-quin...)
Show SMILES [O-][N+](=O)c1c(Cl)c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c12
Show InChI InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)
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7.90n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471534
PNG
(CHEMBL168470)
Show SMILES COc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1OC
Show InChI InChI=1S/C20H16Cl2N2O5/c1-28-15-5-3-11(9-16(15)29-2)23-17(25)6-4-12-18-13(22)7-10(21)8-14(18)24-19(12)20(26)27/h3-9,24H,1-2H3,(H,23,25)(H,26,27)/p-1/b6-4+
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7.90n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471540
PNG
(CHEMBL169013)
Show SMILES Oc1c(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cccc1[N+]([O-])=O
Show InChI InChI=1S/C18H11Cl2N3O6/c19-8-6-10(20)15-9(16(18(26)27)22-12(15)7-8)4-5-14(24)21-11-2-1-3-13(17(11)25)23(28)29/h1-7,22,25H,(H,21,24)(H,26,27)/p-1/b5-4+
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10n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471541
PNG
(CHEMBL354793)
Show SMILES CN(C)c1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1
Show InChI InChI=1S/C20H17Cl2N3O3/c1-25(2)13-5-3-12(4-6-13)23-17(26)8-7-14-18-15(22)9-11(21)10-16(18)24-19(14)20(27)28/h3-10,24H,1-2H3,(H,23,26)(H,27,28)/p-1/b8-7+
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13n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471547
PNG
(CHEMBL168503)
Show SMILES COc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)c(C)c1
Show InChI InChI=1S/C20H16Cl2N2O4/c1-10-7-12(28-2)3-5-15(10)23-17(25)6-4-13-18-14(22)8-11(21)9-16(18)24-19(13)20(26)27/h3-9,24H,1-2H3,(H,23,25)(H,26,27)/p-1/b6-4+
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20n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471535
PNG
(CHEMBL169368)
Show SMILES OC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O
Show InChI InChI=1S/C12H7Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h1-4,15H,(H,16,17)(H,18,19)/p-1/b2-1+
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20n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471530
PNG
(CHEMBL168828)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H14Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-5,8-9,22H,6-7H2,(H,21,23)(H,24,25)/p-1
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25n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471551
PNG
(CHEMBL352435)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C18H11Cl2N3O5/c19-9-7-11(20)16-10(17(18(25)26)22-13(16)8-9)5-6-15(24)21-12-3-1-2-4-14(12)23(27)28/h1-8,22H,(H,21,24)(H,25,26)/p-1/b6-5+
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25n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471524
PNG
(CHEMBL169227)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(F)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H10Cl2FN3O5/c19-8-5-11(20)16-10(17(18(26)27)23-13(16)6-8)2-4-15(25)22-12-3-1-9(21)7-14(12)24(28)29/h1-7,23H,(H,22,25)(H,26,27)/p-1/b4-2+
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32n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471532
PNG
(CHEMBL169776)
Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O
Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)/p-1
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40n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471523
PNG
(CHEMBL354484)
Show SMILES CC(C)c1ccccc1NC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O
Show InChI InChI=1S/C21H18Cl2N2O3/c1-11(2)13-5-3-4-6-16(13)24-18(26)8-7-14-19-15(23)9-12(22)10-17(19)25-20(14)21(27)28/h3-11,25H,1-2H3,(H,24,26)(H,27,28)/p-1/b8-7+
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50n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471536
PNG
(CHEMBL353977)
Show SMILES OC(=O)c1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1
Show InChI InChI=1S/C19H12Cl2N2O5/c20-10-7-13(21)16-12(17(19(27)28)23-14(16)8-10)5-6-15(24)22-11-3-1-9(2-4-11)18(25)26/h1-8,23H,(H,22,24)(H,25,26)(H,27,28)/p-1/b6-5+
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63n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471545
PNG
(CHEMBL353272)
Show SMILES CCN(CC)c1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1
Show InChI InChI=1S/C22H21Cl2N3O3/c1-3-27(4-2)15-7-5-14(6-8-15)25-19(28)10-9-16-20-17(24)11-13(23)12-18(20)26-21(16)22(29)30/h5-12,26H,3-4H2,1-2H3,(H,25,28)(H,29,30)/p-1/b10-9+
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100n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471525
PNG
(CHEMBL352310)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H11Cl2N3O5/c19-9-7-13(20)16-12(17(18(25)26)22-14(16)8-9)5-6-15(24)21-10-1-3-11(4-2-10)23(27)28/h1-8,22H,(H,21,24)(H,25,26)/p-1/b6-5+
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100n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471533
PNG
(CHEMBL354375)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H10Cl3N3O5/c19-8-5-12(21)16-10(17(18(26)27)23-13(16)6-8)2-4-15(25)22-9-1-3-11(20)14(7-9)24(28)29/h1-7,23H,(H,22,25)(H,26,27)/p-1/b4-2+
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126n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471543
PNG
(CHEMBL323628)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H14Cl2N2O3/c20-12-8-14(21)17-13(18(19(25)26)23-15(17)9-12)6-7-16(24)22-10-11-4-2-1-3-5-11/h1-9,23H,10H2,(H,22,24)(H,25,26)/p-1/b7-6+
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126n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471531
PNG
(CHEMBL169890)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H11Cl2F3N2O3/c20-10-7-13(21)16-12(17(18(28)29)26-14(16)8-10)5-6-15(27)25-11-3-1-9(2-4-11)19(22,23)24/h1-8,26H,(H,25,27)(H,28,29)/p-1/b6-5+
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158n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471542
PNG
(CHEMBL355298)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C24H17Cl2N3O3/c25-14-12-19(26)22-18(23(24(31)32)29-20(22)13-14)10-11-21(30)28-17-8-6-16(7-9-17)27-15-4-2-1-3-5-15/h1-13,27,29H,(H,28,30)(H,31,32)/p-1/b11-10+
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200n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471529
PNG
(CHEMBL435473)
Show SMILES CC(C)(C)OC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O
Show InChI InChI=1S/C16H15Cl2NO4/c1-16(2,3)23-12(20)5-4-9-13-10(18)6-8(17)7-11(13)19-14(9)15(21)22/h4-7,19H,1-3H3,(H,21,22)/p-1/b5-4+
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501n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471546
PNG
(CHEMBL352828)
Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C17H12Cl2N2O4S/c18-10-8-13(19)15-12(16(17(22)23)20-14(15)9-10)6-7-26(24,25)21-11-4-2-1-3-5-11/h1-9,20-21H,(H,22,23)/p-1/b7-6+
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794n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50471527
PNG
(CHEMBL168924)
Show SMILES [O-]C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)/p-1
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2.00E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...


J Med Chem 40: 841-50 (1997)


Article DOI: 10.1021/jm960644a
BindingDB Entry DOI: 10.7270/Q2DJ5JBV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199575
PNG
((1-(4-chlorophenoxy)-9-((1-methylpiperidin-4-yl)me...)
Show SMILES CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
Show InChI InChI=1S/C31H35ClN4O2/c1-33-13-11-22(12-14-33)21-36-28-6-4-3-5-26(28)27-19-23(31(37)35-17-15-34(2)16-18-35)20-29(30(27)36)38-25-9-7-24(32)8-10-25/h3-10,19-20,22H,11-18,21H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199586
PNG
(2-(4-((1-(4-chlorophenoxy)-3-(1-methylpiperazine-4...)
Show SMILES CN(C)C(=O)CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
Show InChI InChI=1S/C34H40ClN5O3/c1-36(2)32(41)23-38-14-12-24(13-15-38)22-40-30-7-5-4-6-28(30)29-20-25(34(42)39-18-16-37(3)17-19-39)21-31(33(29)40)43-27-10-8-26(35)9-11-27/h4-11,20-21,24H,12-19,22-23H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199587
PNG
((1-(4-chlorophenoxy)-9-(piperidin-4-ylmethyl)-9H-c...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3CCNCC3)c3ccccc3c2c1
Show InChI InChI=1S/C30H33ClN4O2/c1-33-14-16-34(17-15-33)30(36)22-18-26-25-4-2-3-5-27(25)35(20-21-10-12-32-13-11-21)29(26)28(19-22)37-24-8-6-23(31)7-9-24/h2-9,18-19,21,32H,10-17,20H2,1H3
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50422858
PNG
(CHEMBL382836)
Show SMILES CC1CCN(CC1)[C@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
Show InChI InChI=1S/C30H36ClN3O2/c1-20-12-16-33(17-13-20)26-18-27(36-23-8-6-22(31)7-9-23)29-28(30(26)35)24-4-2-3-5-25(24)34(29)19-21-10-14-32-15-11-21/h2-9,20-21,26-27,32H,10-19H2,1H3/t26-,27+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1749-52 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.104
BindingDB Entry DOI: 10.7270/Q2WW7JZG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199580
PNG
((1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoro-1-methyl...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C)C[C@@H]3F)c3ccccc3c2c1
Show InChI InChI=1S/C31H34ClFN4O2/c1-34-13-15-36(16-14-34)31(38)22-17-26-25-5-3-4-6-28(25)37(19-21-11-12-35(2)20-27(21)33)30(26)29(18-22)39-24-9-7-23(32)8-10-24/h3-10,17-18,21,27H,11-16,19-20H2,1-2H3/t21-,27-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50422843
PNG
(CHEMBL424862)
Show SMILES CN1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C30H37ClN4O2/c1-32-13-11-21(12-14-32)20-35-25-6-4-3-5-24(25)28-29(35)27(37-23-9-7-22(31)8-10-23)19-26(30(28)36)34-17-15-33(2)16-18-34/h3-10,21,26-27H,11-20H2,1-2H3/t26?,27-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1749-52 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.104
BindingDB Entry DOI: 10.7270/Q2WW7JZG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50422845
PNG
(CHEMBL380654)
Show SMILES OCCN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
Show InChI InChI=1S/C30H37ClN4O3/c31-22-5-7-23(8-6-22)38-27-19-26(34-15-13-33(14-16-34)17-18-36)30(37)28-24-3-1-2-4-25(24)35(29(27)28)20-21-9-11-32-12-10-21/h1-8,21,26-27,32,36H,9-20H2/t26?,27-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1749-52 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.104
BindingDB Entry DOI: 10.7270/Q2WW7JZG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199584
PNG
((1-(4-chlorophenoxy)-9-((3-fluoro-1,2,5,6-tetrahyd...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3=C(F)CNCC3)c3ccccc3c2c1 |c:25|
Show InChI InChI=1S/C30H30ClFN4O2/c1-34-12-14-35(15-13-34)30(37)21-16-25-24-4-2-3-5-27(24)36(19-20-10-11-33-18-26(20)32)29(25)28(17-21)38-23-8-6-22(31)7-9-23/h2-9,16-17,33H,10-15,18-19H2,1H3
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50422841
PNG
(CHEMBL439506)
Show SMILES CN1CCN(CC1)[C@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
Show InChI InChI=1S/C29H35ClN4O2/c1-32-14-16-33(17-15-32)25-18-26(36-22-8-6-21(30)7-9-22)28-27(29(25)35)23-4-2-3-5-24(23)34(28)19-20-10-12-31-13-11-20/h2-9,20,25-26,31H,10-19H2,1H3/t25-,26+/m0/s1
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1749-52 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.104
BindingDB Entry DOI: 10.7270/Q2WW7JZG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199579
PNG
(1-(4-chlorophenoxy)-N-(2-(dimethylamino)ethyl)-9-(...)
Show SMILES CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
Show InChI InChI=1S/C29H32ClFN4O2/c1-34(2)14-13-33-29(36)20-15-24-23-5-3-4-6-26(23)35(18-19-11-12-32-17-25(19)31)28(24)27(16-20)37-22-9-7-21(30)8-10-22/h3-10,15-16,19,25,32H,11-14,17-18H2,1-2H3,(H,33,36)/t19-,25+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199577
PNG
((1-(4-chlorophenoxy)-9-(3-(piperidin-1-yl)propyl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CCCN3CCCCC3)c3ccccc3c2c1
Show InChI InChI=1S/C32H37ClN4O2/c1-34-18-20-36(21-19-34)32(38)24-22-28-27-8-3-4-9-29(27)37(17-7-16-35-14-5-2-6-15-35)31(28)30(23-24)39-26-12-10-25(33)11-13-26/h3-4,8-13,22-23H,2,5-7,14-21H2,1H3
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199585
PNG
((1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoropiperidin...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
Show InChI InChI=1S/C30H32ClFN4O2/c1-34-12-14-35(15-13-34)30(37)21-16-25-24-4-2-3-5-27(24)36(19-20-10-11-33-18-26(20)32)29(25)28(17-21)38-23-8-6-22(31)7-9-23/h2-9,16-17,20,26,33H,10-15,18-19H2,1H3/t20-,26-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199570
PNG
((1-(4-chlorophenoxy)-9-(((3S,4S)-3-fluoropiperidin...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
Show InChI InChI=1S/C30H32ClFN4O2/c1-34-12-14-35(15-13-34)30(37)21-16-25-24-4-2-3-5-27(24)36(19-20-10-11-33-18-26(20)32)29(25)28(17-21)38-23-8-6-22(31)7-9-23/h2-9,16-17,20,26,33H,10-15,18-19H2,1H3/t20-,26+/m0/s1
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n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50422856
PNG
(CHEMBL205261)
Show SMILES CNC1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1 |wU:9.31,(11.22,-42.16,;12.24,-43.31,;13.75,-42.99,;14.23,-41.53,;15.74,-41.22,;16.76,-42.37,;18.26,-42.05,;18.74,-40.58,;20.21,-40.11,;21.55,-40.89,;22.9,-40.11,;22.9,-38.56,;24.24,-37.79,;25.57,-38.58,;26.9,-37.82,;26.91,-36.28,;28.25,-35.52,;25.58,-35.5,;24.24,-36.26,;21.55,-37.77,;21.56,-36.23,;20.21,-38.55,;18.74,-38.07,;18.11,-36.67,;16.58,-36.5,;15.67,-37.75,;16.29,-39.16,;17.83,-39.33,;21.54,-42.43,;22.78,-43.33,;22.61,-44.86,;23.85,-45.77,;25.26,-45.15,;26.5,-46.05,;25.42,-43.61,;24.18,-42.71,;16.29,-43.83,;14.78,-44.14,)|
Show InChI InChI=1S/C31H39ClN4O2/c1-33-23-11-7-21(8-12-23)20-36-26-6-4-3-5-25(26)29-30(36)28(38-24-13-9-22(32)10-14-24)19-27(31(29)37)35-17-15-34(2)16-18-35/h3-6,9-10,13-14,21,23,27-28,33H,7-8,11-12,15-20H2,1-2H3/t21?,23?,27?,28-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1749-52 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.104
BindingDB Entry DOI: 10.7270/Q2WW7JZG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50199574
PNG
((1-(4-chlorophenoxy)-9-(((3S,4S)-3-fluoro-1-methyl...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C)C[C@H]3F)c3ccccc3c2c1
Show InChI InChI=1S/C31H34ClFN4O2/c1-34-13-15-36(16-14-34)31(38)22-17-26-25-5-3-4-6-28(25)37(19-21-11-12-35(2)20-27(21)33)30(26)29(18-22)39-24-9-7-23(32)8-10-24/h3-10,17-18,21,27H,11-16,19-20H2,1-2H3/t21-,27+/m0/s1
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n/an/a 95n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair
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