Found 79 hits with Last Name = 'jarvie' and Initial = 'kr' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
D(1B) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | KEGG
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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | PDB
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | KEGG
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Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | KEGG
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | KEGG
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM60917
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 | KEGG
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM60917
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM82248
(CAS_73445-63-3 | SCH 23388 (S-enantiomer))Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1 | PDB
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Northeastern University
Curated by ChEMBL
| Assay Description
Ability to partially antagonise [3H]-SCH- 23388 binding to the Dopamine receptor D2 |
J Med Chem 31: 2069-71 (1988)
BindingDB Entry DOI: 10.7270/Q2B56K9S |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM81485
(CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...)Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | KEGG
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM81485
(CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...)Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2 | KEGG
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50040241
(3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...)Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3 | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50004822
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1 | KEGG
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50004822
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1 | PDB
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| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | KEGG
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| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50040241
(3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...)Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3 | KEGG
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| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM81777
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22) | KEGG
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| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM81777
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22) | PDB
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| 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | KEGG
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| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | KEGG
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| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112778
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)Show SMILES CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(Br)cc1 Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14+/m1/s1 | PDB
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Reactome pathway
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112778
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)Show SMILES CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(Br)cc1 Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112781
((R,R) Propane-2-sulfonic acid [2-(4-cyano-phenyl)-...)Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(cc1)C#N Show InChI InChI=1S/C15H20N2O2S/c1-11(2)20(18,19)17-15-5-3-4-14(15)13-8-6-12(10-16)7-9-13/h6-9,11,14-15,17H,3-5H2,1-2H3/t14-,15-/m1/s1 | PDB
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Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | 403 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112779
((+/-) Propane-2-sulfonic acid [2-(4-nitro-phenyl)-...)Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H20N2O4S/c1-10(2)21(19,20)15-14-5-3-4-13(14)11-6-8-12(9-7-11)16(17)18/h6-10,13-15H,3-5H2,1-2H3/t13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
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UniChem
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| PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112780
((+/-) Propane-2-sulfonic acid [2-(3-fluoro-phenyl)...)Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1cccc(F)c1 Show InChI InChI=1S/C14H20FNO2S/c1-10(2)19(17,18)16-14-8-4-7-13(14)11-5-3-6-12(15)9-11/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t13-,14-/m1/s1 | PDB
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Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | 621 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112770
((+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-c...)Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1 Show InChI InChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| PubMed
| n/a | n/a | n/a | n/a | 22.6 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112772
((+/-) Propane-2-sulfonic acid [2-(3,5-difluoro-phe...)Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1cc(F)cc(F)c1 Show InChI InChI=1S/C14H19F2NO2S/c1-9(2)20(18,19)17-14-5-3-4-13(14)10-6-11(15)8-12(16)7-10/h6-9,13-14,17H,3-5H2,1-2H3/t13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | n/a | n/a | 281 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50112782
((+/-) Propane-2-sulfonic acid (2-phenyl-cyclopenty...)Show InChI InChI=1S/C14H21NO2S/c1-11(2)18(16,17)15-14-10-6-9-13(14)12-7-4-3-5-8-12/h3-5,7-8,11,13-15H,6,9-10H2,1-2H3/t13-,14+/m1/s1 | PDB
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Reactome pathway
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| n/a | n/a | n/a | n/a | 551 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors. |
J Med Chem 45: 2101-11 (2002)
BindingDB Entry DOI: 10.7270/Q20R9NRB |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50022817
(5-(4-Azido-phenyl)-8-iodo-3-methyl-2,3,4,5-tetrahy...)Show SMILES CN1CCc2cc(I)c(O)cc2C(C1)c1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C17H17IN4O/c1-22-7-6-12-8-16(18)17(23)9-14(12)15(10-22)11-2-4-13(5-3-11)20-21-19/h2-5,8-9,15,23H,6-7,10H2,1H3 | PDB
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| n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]-SCH- 23390 to canine striatal membrane |
J Med Chem 31: 2069-71 (1988)
BindingDB Entry DOI: 10.7270/Q2B56K9S |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094008
(CHEMBL337047 | N-[2-(2'-Fluoro-biphenyl-4-yl)-prop...)Show InChI InChI=1S/C16H18FNO2S/c1-12(11-18-21(2,19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12,18H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 1.96E+4 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094009
(CHEMBL136800 | CX-516 | Piperidin-1-yl-quinoxalin-...)Show InChI InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2 | PDB
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Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094010
(CHEMBL337092 | Propane-2-sulfonic acid [2-(4-tert-...)Show InChI InChI=1S/C15H25NO2S/c1-12(2)19(17,18)16-11-10-13-6-8-14(9-7-13)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
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| n/a | n/a | n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094011
(CHEMBL137051 | Propane-2-sulfonic acid [2-(4-tert-...)Show InChI InChI=1S/C17H29NO2S/c1-7-14(12-18-21(19,20)13(2)3)15-8-10-16(11-9-15)17(4,5)6/h8-11,13-14,18H,7,12H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094012
(CHEMBL137798 | N-[2-(2'-Fluoro-biphenyl-4-yl)-prop...)Show SMILES CC(CNS(=O)(=O)c1ccccc1)c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C21H20FNO2S/c1-16(15-23-26(24,25)19-7-3-2-4-8-19)17-11-13-18(14-12-17)20-9-5-6-10-21(20)22/h2-14,16,23H,15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | n/a | n/a | 6.25E+4 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094013
(CHEMBL137359 | Propane-2-sulfonic acid [2-(2'-fluo...)Show InChI InChI=1S/C17H20FNO2S/c1-13(2)22(20,21)19-12-11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18/h3-10,13,19H,11-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094014
(CHEMBL334464 | Propane-2-sulfonic acid [2-(4'-trif...)Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H22F3NO2S/c1-13(2)26(24,25)23-12-14(3)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094016
(CHEMBL343571 | Propane-2-sulfonic acid [2-(4'-meth...)Show InChI InChI=1S/C19H25NO2S/c1-14(2)23(21,22)20-13-16(4)17-9-11-19(12-10-17)18-7-5-15(3)6-8-18/h5-12,14,16,20H,13H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094017
(CHEMBL136886 | Propane-2-sulfonic acid [2-(4-tert-...)Show InChI InChI=1S/C16H27NO2S/c1-12(2)20(18,19)17-11-13(3)14-7-9-15(10-8-14)16(4,5)6/h7-10,12-13,17H,11H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094019
(CHEMBL334920 | N-(2-(4-(thiophen-3-yl)phenyl)propy...)Show InChI InChI=1S/C16H21NO2S2/c1-12(2)21(18,19)17-10-13(3)14-4-6-15(7-5-14)16-8-9-20-11-16/h4-9,11-13,17H,10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094015
(2-(2'-Fluoro-biphenyl-4-yl)-propylamine | CHEMBL33...)Show InChI InChI=1S/C15H16FN/c1-11(10-17)12-6-8-13(9-7-12)14-4-2-3-5-15(14)16/h2-9,11H,10,17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094018
(CHEMBL137789 | N-[2-(4-Thiophen-3-yl-phenyl)-propy...)Show InChI InChI=1S/C14H17NO2S2/c1-11(9-15-19(2,16)17)12-3-5-13(6-4-12)14-7-8-18-10-14/h3-8,10-11,15H,9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50094020
(CHEMBL136801 | Propane-2-sulfonic acid [2-(4'-amin...)Show InChI InChI=1S/C18H24N2O2S/c1-13(2)23(21,22)20-12-14(3)15-4-6-16(7-5-15)17-8-10-18(19)11-9-17/h4-11,13-14,20H,12,19H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
NPS Allelix Corporation
Curated by ChEMBL
| Assay Description
Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells |
J Med Chem 43: 4354-8 (2000)
BindingDB Entry DOI: 10.7270/Q2R2123P |
More data for this
Ligand-Target Pair | |
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