Found 564 hits with Last Name = 'johansson' and Initial = 'l' 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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50368060
(CHEMBL1907695)Show SMILES CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O |r| Show InChI InChI=1S/C19H30N2O4/c1-5-8-13-11-15(24-3)18(25-4)16(17(13)22)19(23)20-12-14-9-7-10-21(14)6-2/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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Similars
| PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50368067
(CHEMBL1907702)Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(OC)c1OC |r| Show InChI InChI=1S/C18H28N2O4/c1-5-12-10-14(23-3)17(24-4)15(16(12)21)18(22)19-11-13-8-7-9-20(13)6-2/h10,13,21H,5-9,11H2,1-4H3,(H,19,22)/t13-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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| 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007517
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1 | PDB
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| 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50368065
(CHEMBL1907692)Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(OC)c1OC |r| Show InChI InChI=1S/C16H23ClN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1 | PDB
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| 0.0870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007518
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1 | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical R & D, Astra Arcus AB
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 216-25 (1997)
BindingDB Entry DOI: 10.7270/Q22Z142T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090771
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090762
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)Show InChI InChI=1S/C17H25NO3/c1-5-9-18(12(2)3)13-10-15-14(17(19)20-4)7-6-8-16(15)21-11-13/h6-8,12-13H,5,9-11H2,1-4H3 | PDB
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (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 | PDB
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090763
((R)-3-{[4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-but...)Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(C(=O)NC)c2C1 Show InChI InChI=1S/C27H39N3O4/c1-3-13-29(20-16-22-21(26(33)28-2)9-8-10-23(22)34-19-20)14-6-7-15-30-24(31)17-27(18-25(30)32)11-4-5-12-27/h8-10,20H,3-7,11-19H2,1-2H3,(H,28,33) | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090756
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)Show InChI InChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3 | PDB
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| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090764
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19) | PDB
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| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007534
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1 | PDB
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| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM85190
(CAS_3055171 | NAD-299 | NSC_3055171)Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22) | PDB
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| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Preclinical R & D, Astra Arcus AB
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 216-25 (1997)
BindingDB Entry DOI: 10.7270/Q22Z142T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50010724
(CHEMBL305916 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-6...)Show InChI InChI=1S/C16H24N2O4/c1-4-18-9-5-6-11(18)10-17-16(20)14-12(19)7-8-13(21-2)15(14)22-3/h7-8,11,19H,4-6,9-10H2,1-3H3,(H,17,20)/t11-/m0/s1 | PDB
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| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50005118
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090772
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21) | PDB
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| 2.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM22473
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13| Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19) | PDB
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| 3 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Biovitrum AB
| Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA... |
J Med Chem 51: 2933-43 (2008)
Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090770
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216902
(2-(adamantan-1-ylamino)-5,5-diethyl-oxazol-4-one |...)Show SMILES CCC1(CC)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:7:8:11:15.13.14,THB:16:14:11:17.8.9,16:8:11:15.13.14,13:12:9:15.14.16,13:14:11.12.17:9| Show InChI InChI=1S/C17H26N2O2/c1-3-17(4-2)14(20)18-15(21-17)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3,(H,18,19,20) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216921
(2-(1-adamantylamino)-1-oxa-3-azaspiro[4.4]non-2-en...)Show SMILES O=C1N=C(NC23CC4CC(CC(C4)C2)C3)OC11CCCC1 |t:2,TLB:4:5:8:12.10.11,THB:13:11:8:14.5.6,13:5:8:12.10.11,10:9:6:12.11.13,10:11:8.9.14:6| Show InChI InChI=1S/C17H24N2O2/c20-14-17(3-1-2-4-17)21-15(18-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2,(H,18,19,20) | PDB
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PC sid
UniChem
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| Article
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224221
(5-cyclopentyl-2-(2-fluorophenylamino)thiazol-4(5H)...)Show InChI InChI=1S/C14H15FN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216904
(2-(adamantan-1-ylamino)-5-isopropyl-5-methyl-oxazo...)Show SMILES CC(C)C1(C)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:7:8:11:15.13.14,THB:16:14:11:17.8.9,16:8:11:15.13.14,13:12:9:15.14.16,13:14:11.12.17:9| Show InChI InChI=1S/C17H26N2O2/c1-10(2)16(3)14(20)18-15(21-16)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,4-9H2,1-3H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216910
(2-(adamantan-2-ylamino)-5-isopropyl-5-methyl-oxazo...)Show SMILES CC(C)C1(C)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O |c:20,TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(-1.08,-29.52,;.46,-29.4,;1.33,-30.67,;1.12,-28.01,;2.66,-28.14,;-.4,-27.79,;-.62,-26.32,;-1.96,-25.56,;-3.22,-26.43,;-3.23,-27.96,;-4.63,-28.3,;-5.96,-27.82,;-7.16,-29.09,;-5.66,-28.67,;-4.25,-29.24,;-5.67,-27.08,;-4.62,-25.85,;-5.97,-26.33,;.72,-25.55,;1.82,-26.64,;3.34,-26.39,)| Show InChI InChI=1S/C17H26N2O2/c1-9(2)17(3)15(20)19-16(21-17)18-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14H,4-8H2,1-3H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224216
(2-(2-chlorophenylamino)-5-cyclopentylthiazol-4(5H)...)Show InChI InChI=1S/C14H15ClN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50368062
(CHEMBL1907915)Show SMILES CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC |r| Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m1/s1 | PDB
Reactome pathway
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM81774
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r| Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1 | PDB
Reactome pathway
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MCE
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| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224207
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)Show InChI InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15) | PDB
MMDB
Reactome pathway
KEGG
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216915
(2-(2-adamantylamino)-5-methyl-5-(trifluoromethyl)-...)Show SMILES CC1(OC(NC2C3CC4CC(C3)CC2C4)=NC1=O)C(F)(F)F |c:17,TLB:11:10:14:7.6.5,11:6:9.10.12:14,THB:4:5:9.10.12:14,5:6:9:12.13.14,5:13:9:7.11.6,(17.02,-20.6,;15.48,-20.47,;13.96,-20.25,;13.74,-18.78,;12.4,-18.01,;11.14,-18.89,;11.13,-20.41,;9.72,-20.76,;8.39,-20.27,;7.2,-21.55,;8.7,-21.13,;10.11,-21.7,;8.69,-19.54,;9.74,-18.3,;8.39,-18.78,;15.08,-18,;16.18,-19.1,;17.7,-18.84,;15.1,-21.96,;14.71,-23.46,;16.59,-22.35,;13.6,-21.58,)| Show InChI InChI=1S/C15H19F3N2O2/c1-14(15(16,17)18)12(21)20-13(22-14)19-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224208
(2-(2-chlorophenylamino)-5-isopropylthiazol-4(5H)-o...)Show InChI InChI=1S/C12H13ClN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224202
(5-cyclohexyl-2-(2-fluorophenylamino)thiazol-4(5H)-...)Show InChI InChI=1S/C15H17FN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50368073
(CHEMBL1907690)Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC |r| Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)12(22-2)8-11(17)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1 | PDB
Reactome pathway
KEGG
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| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astra Research Centre AB
Curated by ChEMBL
| Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 |
J Med Chem 33: 1155-63 (1990)
BindingDB Entry DOI: 10.7270/Q24X58DR |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216917
(2-(cyclooctylamino)-5,5-diethyloxazol-4(5H)-one | ...)Show InChI InChI=1S/C15H26N2O2/c1-3-15(4-2)13(18)17-14(19-15)16-12-10-8-6-5-7-9-11-12/h12H,3-11H2,1-2H3,(H,16,17,18) | PDB
MMDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224203
(2-(2-chlorophenylamino)-5-cyclohexylthiazol-4(5H)-...)Show InChI InChI=1S/C15H17ClN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2,(H,17,18) | PDB
MMDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090771
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3 | PDB
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| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224217
(2-(2,5-difluorophenylamino)-5-isopropylthiazol-4(5...)Show InChI InChI=1S/C12H12F2N2OS/c1-6(2)10-11(17)16-12(18-10)15-9-5-7(13)3-4-8(9)14/h3-6,17H,1-2H3,(H,15,16) | PDB
MMDB
Reactome pathway
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216931
(2-(2-adamantylamino)-5,5-diethyl-1,3-oxazol-4(5H)-...)Show SMILES CCC1(CC)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O |c:20,TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(30.39,-21.27,;29.73,-19.88,;28.2,-19.75,;27.53,-21.14,;26,-21.26,;26.67,-19.52,;26.45,-18.06,;25.12,-17.29,;23.85,-18.17,;23.84,-19.69,;22.44,-20.04,;21.11,-19.55,;19.92,-20.83,;21.42,-20.41,;22.83,-20.98,;21.41,-18.82,;22.46,-17.58,;21.11,-18.06,;27.79,-17.28,;28.89,-18.38,;30.41,-18.12,)| Show InChI InChI=1S/C17H26N2O2/c1-3-17(4-2)15(20)19-16(21-17)18-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,3-9H2,1-2H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM22467
(2-Amino-1,3-thiazol-4(5H)-one, 6h | 5-methyl-5-pro...)Show SMILES CCCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16| Show InChI InChI=1S/C16H24N2OS/c1-3-4-15(2)13(19)17-14(20-15)18-16-8-10-5-11(9-16)7-12(16)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 12 | -44.8 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Biovitrum AB
| Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA... |
J Med Chem 51: 2933-43 (2008)
Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319660
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r| Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 12.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319665
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1 | PDB
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PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224205
(2-(2,6-dichlorophenylamino)-5-isopropylthiazol-4(5...)Show InChI InChI=1S/C12H12Cl2N2OS/c1-6(2)10-11(17)16-12(18-10)15-9-7(13)4-3-5-8(9)14/h3-6,17H,1-2H3,(H,15,16) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM22472
(2-Amino-1,3-thiazol-4(5H)-one, 7b | 5,5-diethyl-2-...)Show SMILES CCC1(CC)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16| Show InChI InChI=1S/C16H24N2OS/c1-3-16(4-2)13(19)17-14(20-16)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19) | PDB
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| 13 | -44.6 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Biovitrum AB
| Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA... |
J Med Chem 51: 2933-43 (2008)
Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM22466
(2-Amino-1,3-thiazol-4(5H)-one, 5h | 5-ethyl-5-meth...)Show SMILES CCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:18,TLB:14:13:7.8:10,6:7:10:13.12.15,6:7:12:9.10.15,THB:8:7:12:9.10.15,8:9:7.14:12,14:7:10:13.12.15| Show InChI InChI=1S/C15H22N2OS/c1-3-14(2)12(18)16-13(19-14)17-15-7-9-4-10(8-15)6-11(15)5-9/h9-11H,3-8H2,1-2H3,(H,16,17,18) | PDB
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| 13 | -44.6 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Biovitrum AB
| Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA... |
J Med Chem 51: 2933-43 (2008)
Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216901
(2-cyclooctylamino-1-oxa-3-aza-spiro[4.4]non-2-en-4...)Show InChI InChI=1S/C15H24N2O2/c18-13-15(10-6-7-11-15)19-14(17-13)16-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,16,17,18) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM22471
(2-(cyclooctylamino)-1-thia-3-azaspiro[4.4]non-2-en...)Show InChI InChI=1S/C15H24N2OS/c18-13-15(10-6-7-11-15)19-14(17-13)16-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,16,17,18) | PDB
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| 14 | -44.4 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Biovitrum AB
| Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA... |
J Med Chem 51: 2933-43 (2008)
Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50090759
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Södertälje
Curated by ChEMBL
| Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr... |
J Med Chem 43: 2837-50 (2000)
BindingDB Entry DOI: 10.7270/Q2610ZJK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224207
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)Show InChI InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216912
(2-(cyclooctylamino)-5-methyl-5-(trifluoromethyl)ox...)Show InChI InChI=1S/C13H19F3N2O2/c1-12(13(14,15)16)10(19)18-11(20-12)17-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H,17,18,19) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216914
(2-(cyclooctylamino)-5-isopropyl-5-methyloxazol-4(5...)Show InChI InChI=1S/C15H26N2O2/c1-11(2)15(3)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319664
((R,S)-2-((+/-)-exo-Bicyclo[2.2.1]heptan-2-ylamino)...)Show SMILES CC(C)C1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14?/m1/s1 | PDB
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| 17.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
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