Found 14 hits Enz. Inhib. hit(s) with all data for entry = 4645 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 |
|---|
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM23183
(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM50281573
(3-Amino-propane-1-sulfonic acid | 3-ammoniopropane...)Show InChI InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
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| PDB
Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM81478
(CAS_37539-03-0 | TACA)Show SMILES N[C@H]1[C@H]2SCC(CSc3cnn[nH]3)=C(N2C1=O)C(O)=O |r,c:13| Show InChI InChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9-/m1/s1 | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM7882
(1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...)Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5) | PDB
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| 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM81476
(CAS_124355 | NSC_124355 | trans-3-aminocyclopentan...)Show InChI InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9) | PDB
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| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM50021610
(3-Guanidino-propionic acid | CHEMBL20489 | Guanidi...)Show InChI InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) | PDB
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| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM81479
(CAS_521264 | NSC_521264 | cis-3-aminocyclopentane-...)Show InChI InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9) | PDB
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| 4.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM50000693
((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1 | PDB
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| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM50003624
((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM81474
(CAS_124-87-8 | NSC_5311359 | Picrotoxin)Show SMILES CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC33C(=O)OC2C13C |THB:8:7:4:20.19.10| Show InChI InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM81475
(Bicuculline methochloride,(+/-) | CAS_38641-83-7 |...)Show SMILES CC1(OC(=O)c2c3OCOc3ccc12)C1c2cc3OCOc3cc2CC[N+]1(C)C Show InChI InChI=1S/C22H22NO6/c1-22(14-4-5-15-19(28-11-25-15)18(14)21(24)29-22)20-13-9-17-16(26-10-27-17)8-12(13)6-7-23(20,2)3/h4-5,8-9,20H,6-7,10-11H2,1-3H3/q+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM50000102
(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM81477
(Acetylenic GABA-7 | CAS_57659-38-8 | GAMMA-ACETYLE...)Show InChI InChI=1S/C6H9NO2/c1-2-5(7)3-4-6(8)9/h1,5H,3-4,7H2,(H,8,9) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
J Neurochem 32: 713-8 (1979)
Article DOI: 10.1111/j.1471-4159.1979.tb04553.x
BindingDB Entry DOI: 10.7270/Q29W0D0B |
More data for this
Ligand-Target Pair | |
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