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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'nagata' and Initial = 'r'   
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)
BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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1n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- DCKA (5,7-dichlorokynurenic acid) in...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284800
PNG
(((5R,6S)-9-Bromo-6-ethyl-2,3-dioxo-2,3,6,7-tetrahy...)
Show SMILES CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C15H15BrN2O4/c1-2-7-3-8-4-9(16)5-10-13(8)18(11(7)6-12(19)20)15(22)14(21)17-10/h4-5,7,11H,2-3,6H2,1H3,(H,17,21)(H,19,20)/t7-,11+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50038046
PNG
(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Show SMILES Brc1cc2CC[C@@H](CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)/t14-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50038047
PNG
(2-(9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyri...)
Show SMILES Brc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284808
PNG
(2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284808
PNG
(2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284815
PNG
(2-((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahy...)
Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18ClN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16?/m0/s1
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284801
PNG
(((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284801
PNG
(((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284805
PNG
(2-((5R,6S)-9-Bromo-6-ethyl-2,3-dioxo-2,3,6,7-tetra...)
Show SMILES CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C21H20BrN3O3/c1-2-12-8-13-9-14(22)10-16-19(13)25(21(28)20(27)24-16)17(12)11-18(26)23-15-6-4-3-5-7-15/h3-7,9-10,12,17H,2,8,11H2,1H3,(H,23,26)(H,24,27)/t12-,17+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284813
PNG
(((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahydr...)
Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(O)=O)c23
Show InChI InChI=1S/C14H13ClN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10?/m0/s1
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4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284817
PNG
((9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Show SMILES OC(=O)CC1CCc2cc(Cl)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11ClN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284818
PNG
(2-(9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyr...)
Show SMILES Clc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16ClN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284804
PNG
(2-((5S,7R)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@@H]1C[C@@H](CC(=O)Nc2ccccc2)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-14(10-17(25)22-13-5-3-2-4-6-13)24-18-15(11)8-12(21)9-16(18)23-19(26)20(24)27/h2-6,8-9,11,14H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,14+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284807
PNG
(((5R,6R)-9-Bromo-6-isopropyl-2,3-dioxo-2,3,6,7-tet...)
Show SMILES CC(C)[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C16H17BrN2O4/c1-7(2)10-4-8-3-9(17)5-11-14(8)19(12(10)6-13(20)21)16(23)15(22)18-11/h3,5,7,10,12H,4,6H2,1-2H3,(H,18,22)(H,20,21)/t10-,12-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50038055
PNG
(((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-py...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11BrN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)/t8-/m0/s1
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9.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50038043
PNG
((9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido...)
Show SMILES OC(=O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11BrN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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9.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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11n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- glycine in rat cortical membranes


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284806
PNG
(2-((5S,7S)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1C[C@@H](CC(=O)Nc2ccccc2)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-14(10-17(25)22-13-5-3-2-4-6-13)24-18-15(11)8-12(21)9-16(18)23-19(26)20(24)27/h2-6,8-9,11,14H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,14-/m0/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284799
PNG
(2-((5R,6R)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16-/m1/s1
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284798
PNG
(((5R,6R)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10-/m1/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284812
PNG
(((5S,7R)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@@H]1C[C@@H](CC(O)=O)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-8(5-11(18)19)17-12-9(6)3-7(15)4-10(12)16-13(20)14(17)21/h3-4,6,8H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,8+/m1/s1
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38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284811
PNG
(((5S,7S)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@H]1C[C@@H](CC(O)=O)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-8(5-11(18)19)17-12-9(6)3-7(15)4-10(12)16-13(20)14(17)21/h3-4,6,8H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,8-/m0/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284814
PNG
((9-Iodo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[...)
Show SMILES OC(=O)CC1CCc2cc(I)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11IN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284816
PNG
(2-(9-Iodo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Show SMILES Ic1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16IN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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134n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284803
PNG
(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Show SMILES CC([C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)C(O)=O
Show InChI InChI=1S/C14H13BrN2O4/c1-6(14(20)21)10-3-2-7-4-8(15)5-9-11(7)17(10)13(19)12(18)16-9/h4-6,10H,2-3H2,1H3,(H,16,18)(H,20,21)/t6?,10-/m0/s1
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241n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284803
PNG
(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Show SMILES CC([C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)C(O)=O
Show InChI InChI=1S/C14H13BrN2O4/c1-6(14(20)21)10-3-2-7-4-8(15)5-9-11(7)17(10)13(19)12(18)16-9/h4-6,10H,2-3H2,1H3,(H,16,18)(H,20,21)/t6?,10-/m0/s1
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241n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284810
PNG
(((S)-9-Bromo-5-methyl-2,3-dioxo-2,3,6,7-tetrahydro...)
Show SMILES C[C@@]1(CC(O)=O)CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C14H13BrN2O4/c1-14(6-10(18)19)3-2-7-4-8(15)5-9-11(7)17(14)13(21)12(20)16-9/h4-5H,2-3,6H2,1H3,(H,16,20)(H,18,19)/t14-/m0/s1
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451n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284802
PNG
(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Show SMILES CC([C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H18BrN3O3/c1-11(18(25)22-14-5-3-2-4-6-14)16-8-7-12-9-13(21)10-15-17(12)24(16)20(27)19(26)23-15/h2-6,9-11,16H,7-8H2,1H3,(H,22,25)(H,23,26)/t11?,16-/m0/s1
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665n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284802
PNG
(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Show SMILES CC([C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H18BrN3O3/c1-11(18(25)22-14-5-3-2-4-6-14)16-8-7-12-9-13(21)10-15-17(12)24(16)20(27)19(26)23-15/h2-6,9-11,16H,7-8H2,1H3,(H,22,25)(H,23,26)/t11?,16-/m0/s1
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665n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50284809
PNG
(2-((S)-9-Bromo-5-methyl-2,3-dioxo-2,3,6,7-tetrahyd...)
Show SMILES C[C@@]1(CC(=O)Nc2ccccc2)CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C20H18BrN3O3/c1-20(11-16(25)22-14-5-3-2-4-6-14)8-7-12-9-13(21)10-15-17(12)24(20)19(27)18(26)23-15/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,26)/t20-/m0/s1
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760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292221
PNG
((S)-3-(2,4-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)7-8-30-17-10-12(19(28)31)9-15(22(25,26)27)18(17)21(33,20(30)32)14-6-5-13(23)11-16(14)24/h5-6,9-11,33H,3-4,7-8H2,1-2H3,(H2,28,31)/t21-/m1/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292225
PNG
((S)-3-(2,5-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)7-8-30-17-10-12(19(28)31)9-15(22(25,26)27)18(17)21(33,20(30)32)14-11-13(23)5-6-16(14)24/h5-6,9-11,33H,3-4,7-8H2,1-2H3,(H2,28,31)/t21-/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50073956
PNG
(CHEMBL85567 | {5-Aminomethyl-2-[2-((S)-9-chloro-2,...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(=O)c(=O)n2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C22H21ClN4O6/c23-13-6-12-2-3-14(27-20(12)16(7-13)26-21(31)22(27)32)8-18(28)25-15-4-1-11(9-24)5-17(15)33-10-19(29)30/h1,4-7,14H,2-3,8-10,24H2,(H,25,28)(H,26,31)(H,29,30)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123792
PNG
(3-[(4-Aminomethyl-2-carboxymethyl-phenylcarbamoyl)...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(CC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O5/c24-15-6-12-2-3-13(21-20(12)17(9-15)27-22(21)23(31)32)7-18(28)26-16-4-1-11(10-25)5-14(16)8-19(29)30/h1,4-6,9,13,27H,2-3,7-8,10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292228
PNG
((S)-3-(2,3-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)8-9-30-16-11-12(19(28)31)10-14(22(25,26)27)17(16)21(33,20(30)32)13-6-5-7-15(23)18(13)24/h5-7,10-11,33H,3-4,8-9H2,1-2H3,(H2,28,31)/t21-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292230
PNG
((S)-3-(2,6-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)8-9-30-16-11-12(19(28)31)10-13(22(25,26)27)17(16)21(33,20(30)32)18-14(23)6-5-7-15(18)24/h5-7,10-11,33H,3-4,8-9H2,1-2H3,(H2,28,31)/t21-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123796
PNG
(3-[(2-Carboxymethyl-phenylcarbamoyl)-methyl]-7-chl...)
Show SMILES OC(=O)Cc1ccccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C22H19ClN2O5/c23-14-7-12-5-6-13(20-19(12)16(10-14)25-21(20)22(29)30)8-17(26)24-15-4-2-1-3-11(15)9-18(27)28/h1-4,7,10,13,25H,5-6,8-9H2,(H,24,26)(H,27,28)(H,29,30)/t13-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292223
PNG
((R)-3-(3-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)8-9-29-17-11-13(19(27)30)10-16(22(24,25)26)18(17)21(32,20(29)31)14-6-5-7-15(23)12-14/h5-7,10-12,32H,3-4,8-9H2,1-2H3,(H2,27,30)/t21-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123791
PNG
(3-[(4-Aminomethyl-phenylcarbamoyl)-methyl]-7-chlor...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)cc1
Show InChI InChI=1S/C21H20ClN3O3/c22-14-7-12-3-4-13(19-18(12)16(9-14)25-20(19)21(27)28)8-17(26)24-15-5-1-11(10-23)2-6-15/h1-2,5-7,9,13,25H,3-4,8,10,23H2,(H,24,26)(H,27,28)/t13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123795
PNG
(7-Chloro-3-phenylcarbamoylmethyl-1,3,4,5-tetrahydr...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc3CC[C@@H](CC(=O)Nc4ccccc4)c1c23
Show InChI InChI=1S/C20H17ClN2O3/c21-13-8-11-6-7-12(9-16(24)22-14-4-2-1-3-5-14)18-17(11)15(10-13)23-19(18)20(25)26/h1-5,8,10,12,23H,6-7,9H2,(H,22,24)(H,25,26)/t12-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123794
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123793
PNG
(3-[(4-Aminomethyl-2-carboxymethoxy-phenylcarbamoyl...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O6/c24-14-6-12-2-3-13(21-20(12)16(8-14)27-22(21)23(31)32)7-18(28)26-15-4-1-11(9-25)5-17(15)33-10-19(29)30/h1,4-6,8,13,27H,2-3,7,9-10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50123793
PNG
(3-[(4-Aminomethyl-2-carboxymethoxy-phenylcarbamoyl...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O6/c24-14-6-12-2-3-13(21-20(12)16(8-14)27-22(21)23(31)32)7-18(28)26-15-4-1-11(9-25)5-17(15)33-10-19(29)30/h1,4-6,8,13,27H,2-3,7,9-10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292227
PNG
((R)-1-(2-Diethylamino-ethyl)-3-hydroxy-3-(3-methox...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H26F3N3O4/c1-4-28(5-2)9-10-29-18-12-14(20(27)30)11-17(23(24,25)26)19(18)22(32,21(29)31)15-7-6-8-16(13-15)33-3/h6-8,11-13,32H,4-5,9-10H2,1-3H3,(H2,27,30)/t22-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292226
PNG
((R)-3-(4-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-16(22(24,25)26)18(17)21(32,20(29)31)14-5-7-15(23)8-6-14/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
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