Found 88 hits with Last Name = 'nguyen' and Initial = 'pt' 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 |
|---|
Glucocorticoid receptor
(RAT) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(RAT) | BDBM86690
(A 348441 | A-348441)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11| Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Membrane-associated progesterone receptor component 1
(RAT) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
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| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
MMDB
Reactome pathway
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Membrane-associated progesterone receptor component 1
(RAT) | BDBM86690
(A 348441 | A-348441)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11| Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1 | PDB
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| PC cid
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| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM86690
(A 348441 | A-348441)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11| Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193788
((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+ | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193788
((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193783
((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...)Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM86690
(A 348441 | A-348441)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11| Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193800
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193800
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193783
((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...)Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM86690
(A 348441 | A-348441)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11| Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
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| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(RAT) | BDBM86690
(A 348441 | A-348441)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11| Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1 | PDB
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| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
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| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(RAT) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
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| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(RAT) | BDBM86690
(A 348441 | A-348441)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11| Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1 | PDB
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(RAT) | BDBM86689
(CAS_84371-65-3 | NSC_55245 | RU-486)Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 191-200 (2005)
Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193786
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)| Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193786
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)| Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193798
(6-((1-cycloheptyl-5-oxopyrrolidin-3-yl)methoxy)nic...)Show InChI InChI=1S/C18H23N3O2/c19-10-14-7-8-17(20-11-14)23-13-15-9-18(22)21(12-15)16-5-3-1-2-4-6-16/h7-8,11,15-16H,1-6,9,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193795
(34-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethy...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C1=O)C12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C22H28N4O3/c1-20(2)16(14-29-17-4-3-15(11-23)12-25-17)13-26(19(20)28)22-8-5-21(6-9-22,7-10-22)18(24)27/h3-4,12,16H,5-10,13-14H2,1-2H3,(H2,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193787
(4-[3,3-dmethyl-2-oxo-4-(5-trifluoromethyl-pyridin-...)Show SMILES CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(=N)NO)C1=O |wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(24.81,-1.12,;23.49,-.36,;23.94,1.11,;23.01,-1.82,;23.91,-3.07,;25.46,-3.04,;26.25,-4.36,;25.51,-5.7,;26.31,-7.02,;27.85,-6.99,;28.59,-5.63,;27.79,-4.31,;28.6,-8.31,;29.36,-9.64,;27.27,-9.07,;29.93,-7.54,;21.46,-1.82,;20.99,-.36,;19.53,.11,;18.21,-.47,;16.68,.12,;16.63,1.65,;18.07,2.18,;19.53,1.65,;18.54,2.83,;17.1,2.24,;15.69,2.87,;17.23,.7,;17.09,3.78,;15.76,4.55,;18.42,4.57,;18.41,6.1,;22.24,.55,;22.24,2.09,)| Show InChI InChI=1S/C24H31F3N4O3/c1-22(2)17(12-34-18-4-3-16(10-29-18)24(25,26)27)11-31(21(22)32)19-14-5-13-6-15(19)9-23(7-13,8-14)20(28)30-33/h3-4,10,13-15,17,19,33H,5-9,11-12H2,1-2H3,(H2,28,30)/t13?,14?,15?,17?,19-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193795
(34-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethy...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C1=O)C12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C22H28N4O3/c1-20(2)16(14-29-17-4-3-15(11-23)12-25-17)13-26(19(20)28)22-8-5-21(6-9-22,7-10-22)18(24)27/h3-4,12,16H,5-10,13-14H2,1-2H3,(H2,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193787
(4-[3,3-dmethyl-2-oxo-4-(5-trifluoromethyl-pyridin-...)Show SMILES CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(=N)NO)C1=O |wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(24.81,-1.12,;23.49,-.36,;23.94,1.11,;23.01,-1.82,;23.91,-3.07,;25.46,-3.04,;26.25,-4.36,;25.51,-5.7,;26.31,-7.02,;27.85,-6.99,;28.59,-5.63,;27.79,-4.31,;28.6,-8.31,;29.36,-9.64,;27.27,-9.07,;29.93,-7.54,;21.46,-1.82,;20.99,-.36,;19.53,.11,;18.21,-.47,;16.68,.12,;16.63,1.65,;18.07,2.18,;19.53,1.65,;18.54,2.83,;17.1,2.24,;15.69,2.87,;17.23,.7,;17.09,3.78,;15.76,4.55,;18.42,4.57,;18.41,6.1,;22.24,.55,;22.24,2.09,)| Show InChI InChI=1S/C24H31F3N4O3/c1-22(2)17(12-34-18-4-3-16(10-29-18)24(25,26)27)11-31(21(22)32)19-14-5-13-6-15(19)9-23(7-13,8-14)20(28)30-33/h3-4,10,13-15,17,19,33H,5-9,11-12H2,1-2H3,(H2,28,30)/t13?,14?,15?,17?,19-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50193790
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193784
(4-[4-(4-imidazol-1-yl-phenoxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2ccnc2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(8.91,-1.06,;7.59,-.29,;8.04,1.18,;7.11,-1.75,;8.02,-3,;9.56,-2.97,;10.36,-4.29,;9.61,-5.63,;10.41,-6.95,;11.95,-6.92,;12.7,-5.56,;11.89,-4.25,;12.74,-8.23,;12.15,-9.65,;13.31,-10.65,;14.63,-9.85,;14.27,-8.36,;5.56,-1.75,;5.09,-.29,;3.63,.18,;2.31,-.4,;.78,.19,;.72,1.72,;2.17,2.25,;3.63,1.72,;2.64,2.9,;1.2,2.31,;-.22,2.94,;1.32,.78,;1.19,3.86,;-.15,4.62,;2.52,4.64,;6.34,.62,;6.34,2.16,)| Show InChI InChI=1S/C27H34N4O3/c1-26(2)20(15-34-22-5-3-21(4-6-22)30-8-7-29-16-30)14-31(25(26)33)23-18-9-17-10-19(23)13-27(11-17,12-18)24(28)32/h3-8,16-20,23H,9-15H2,1-2H3,(H2,28,32)/t17?,18?,19?,20?,23-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193789
(4-[3,3-dimethyl-2-oxo-4-(4-[1,2,4]triazol-1-yl-phe...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2cncn2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(-.43,-1.62,;-1.75,-.86,;-1.31,.62,;-2.24,-2.32,;-1.33,-3.57,;.21,-3.53,;1.01,-4.85,;.26,-6.2,;1.06,-7.51,;2.6,-7.48,;3.34,-6.12,;2.54,-4.81,;3.39,-8.79,;4.92,-8.92,;5.27,-10.41,;3.96,-11.21,;2.8,-10.21,;-3.78,-2.32,;-4.25,-.86,;-5.72,-.38,;-7.03,-.97,;-8.56,-.38,;-8.62,1.16,;-7.17,1.68,;-5.71,1.15,;-6.71,2.33,;-8.15,1.74,;-9.56,2.37,;-8.02,.21,;-8.16,3.29,;-9.49,4.05,;-6.82,4.07,;-3.01,.05,;-3.01,1.6,)| Show InChI InChI=1S/C26H33N5O3/c1-25(2)19(13-34-21-5-3-20(4-6-21)31-15-28-14-29-31)12-30(24(25)33)22-17-7-16-8-18(22)11-26(9-16,10-17)23(27)32/h3-6,14-19,22H,7-13H2,1-2H3,(H2,27,32)/t16?,17?,18?,19?,22-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193797
(4-(3-benzyl-2-oxo-pyrrolidin-1-yl)-adamantane-1-ca...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCC(Cc2ccccc2)C1=O |wU:9.15,wD:3.2,TLB:6:5:12:8.7.9,6:7:4.5.11:12,THB:9:7:4:11.10.12,9:10:4:8.6.7,13:9:4.5.11:12,(-8.33,-4.6,;-6.99,-5.36,;-5.65,-4.58,;-6.98,-6.91,;-8.4,-6.28,;-7.46,-7.49,;-7.4,-9.03,;-5.87,-9.62,;-6.86,-8.44,;-4.55,-9.03,;-4.55,-7.5,;-6.01,-6.97,;-5.54,-6.32,;-3.22,-9.8,;-2.69,-11.24,;-1.14,-11.17,;-.73,-9.71,;.64,-9.01,;1.92,-9.85,;1.84,-11.4,;3.14,-12.23,;4.52,-11.51,;4.59,-9.99,;3.29,-9.15,;-2.02,-8.84,;-2.02,-7.23,)| Show InChI InChI=1S/C22H28N2O2/c23-21(26)22-11-15-9-17(12-22)19(18(10-15)13-22)24-7-6-16(20(24)25)8-14-4-2-1-3-5-14/h1-5,15-19H,6-13H2,(H2,23,26)/t15?,16?,17?,18?,19-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193784
(4-[4-(4-imidazol-1-yl-phenoxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2ccnc2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(8.91,-1.06,;7.59,-.29,;8.04,1.18,;7.11,-1.75,;8.02,-3,;9.56,-2.97,;10.36,-4.29,;9.61,-5.63,;10.41,-6.95,;11.95,-6.92,;12.7,-5.56,;11.89,-4.25,;12.74,-8.23,;12.15,-9.65,;13.31,-10.65,;14.63,-9.85,;14.27,-8.36,;5.56,-1.75,;5.09,-.29,;3.63,.18,;2.31,-.4,;.78,.19,;.72,1.72,;2.17,2.25,;3.63,1.72,;2.64,2.9,;1.2,2.31,;-.22,2.94,;1.32,.78,;1.19,3.86,;-.15,4.62,;2.52,4.64,;6.34,.62,;6.34,2.16,)| Show InChI InChI=1S/C27H34N4O3/c1-26(2)20(15-34-22-5-3-21(4-6-22)30-8-7-29-16-30)14-31(25(26)33)23-18-9-17-10-19(23)13-27(11-17,12-18)24(28)32/h3-8,16-20,23H,9-15H2,1-2H3,(H2,28,32)/t17?,18?,19?,20?,23-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193789
(4-[3,3-dimethyl-2-oxo-4-(4-[1,2,4]triazol-1-yl-phe...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2cncn2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(-.43,-1.62,;-1.75,-.86,;-1.31,.62,;-2.24,-2.32,;-1.33,-3.57,;.21,-3.53,;1.01,-4.85,;.26,-6.2,;1.06,-7.51,;2.6,-7.48,;3.34,-6.12,;2.54,-4.81,;3.39,-8.79,;4.92,-8.92,;5.27,-10.41,;3.96,-11.21,;2.8,-10.21,;-3.78,-2.32,;-4.25,-.86,;-5.72,-.38,;-7.03,-.97,;-8.56,-.38,;-8.62,1.16,;-7.17,1.68,;-5.71,1.15,;-6.71,2.33,;-8.15,1.74,;-9.56,2.37,;-8.02,.21,;-8.16,3.29,;-9.49,4.05,;-6.82,4.07,;-3.01,.05,;-3.01,1.6,)| Show InChI InChI=1S/C26H33N5O3/c1-25(2)19(13-34-21-5-3-20(4-6-21)31-15-28-14-29-31)12-30(24(25)33)22-17-7-16-8-18(22)11-26(9-16,10-17)23(27)32/h3-6,14-19,22H,7-13H2,1-2H3,(H2,27,32)/t16?,17?,18?,19?,22-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193789
(4-[3,3-dimethyl-2-oxo-4-(4-[1,2,4]triazol-1-yl-phe...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2cncn2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(-.43,-1.62,;-1.75,-.86,;-1.31,.62,;-2.24,-2.32,;-1.33,-3.57,;.21,-3.53,;1.01,-4.85,;.26,-6.2,;1.06,-7.51,;2.6,-7.48,;3.34,-6.12,;2.54,-4.81,;3.39,-8.79,;4.92,-8.92,;5.27,-10.41,;3.96,-11.21,;2.8,-10.21,;-3.78,-2.32,;-4.25,-.86,;-5.72,-.38,;-7.03,-.97,;-8.56,-.38,;-8.62,1.16,;-7.17,1.68,;-5.71,1.15,;-6.71,2.33,;-8.15,1.74,;-9.56,2.37,;-8.02,.21,;-8.16,3.29,;-9.49,4.05,;-6.82,4.07,;-3.01,.05,;-3.01,1.6,)| Show InChI InChI=1S/C26H33N5O3/c1-25(2)19(13-34-21-5-3-20(4-6-21)31-15-28-14-29-31)12-30(24(25)33)22-17-7-16-8-18(22)11-26(9-16,10-17)23(27)32/h3-6,14-19,22H,7-13H2,1-2H3,(H2,27,32)/t16?,17?,18?,19?,22-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193786
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)| Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193793
(6-(((3R,4R)-1-cycloheptyl-4-methyl-5-oxopyrrolidin...)Show SMILES C[C@@H]1[C@@H](COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O Show InChI InChI=1S/C19H25N3O2/c1-14-16(13-24-18-9-8-15(10-20)11-21-18)12-22(19(14)23)17-6-4-2-3-5-7-17/h8-9,11,14,16-17H,2-7,12-13H2,1H3/t14-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193791
(4-[3,3-dimethyl-2-oxo-4-(5-trifluoromethyl-pyridin...)Show SMILES CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=N)C1=O |wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(1.54,-18.24,;.22,-17.48,;.67,-16,;-.26,-18.94,;.64,-20.19,;2.19,-20.15,;2.98,-21.47,;2.24,-22.81,;3.04,-24.13,;4.58,-24.1,;5.32,-22.74,;4.52,-21.43,;5.33,-25.43,;6.09,-26.75,;4,-26.19,;6.66,-24.66,;-1.81,-18.94,;-2.28,-17.48,;-3.74,-17,;-5.06,-17.59,;-6.59,-17,;-6.64,-15.46,;-5.2,-14.94,;-3.74,-15.47,;-4.73,-14.29,;-6.17,-14.88,;-7.58,-14.25,;-6.04,-16.41,;-6.18,-13.33,;-7.51,-12.56,;-4.85,-12.56,;-1.03,-16.57,;-1.03,-15.02,)| Show InChI InChI=1S/C24H31F3N4O2/c1-22(2)17(12-33-18-4-3-16(10-30-18)24(25,26)27)11-31(21(22)32)19-14-5-13-6-15(19)9-23(7-13,8-14)20(28)29/h3-4,10,13-15,17,19H,5-9,11-12H2,1-2H3,(H3,28,29)/t13?,14?,15?,17?,19-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193790
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193790
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193799
(1-(2-adamantyl)-3-benzylpyrrolidin-2-one | CHEMBL2...)Show SMILES O=C1C(Cc2ccccc2)CCN1[C@H]1C2CC3CC(C2)CC1C3 |wU:13.14,TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.33,2.74,;8.33,1.12,;9.62,.26,;10.98,.95,;12.27,.12,;12.19,-1.43,;13.48,-2.26,;14.86,-1.54,;14.94,-.02,;13.64,.82,;9.2,-1.2,;7.66,-1.27,;7.13,.17,;5.79,.93,;4.48,.35,;3.49,1.53,;3.37,3.06,;1.95,3.69,;2.89,2.47,;2.95,.93,;4.34,3,;5.8,2.46,;4.81,3.65,)| Show InChI InChI=1S/C21H27NO/c23-21-17(9-14-4-2-1-3-5-14)6-7-22(21)20-18-10-15-8-16(12-18)13-19(20)11-15/h1-5,15-20H,6-13H2/t15?,16?,17?,18?,19?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193793
(6-(((3R,4R)-1-cycloheptyl-4-methyl-5-oxopyrrolidin...)Show SMILES C[C@@H]1[C@@H](COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O Show InChI InChI=1S/C19H25N3O2/c1-14-16(13-24-18-9-8-15(10-20)11-21-18)12-22(19(14)23)17-6-4-2-3-5-7-17/h8-9,11,14,16-17H,2-7,12-13H2,1H3/t14-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193784
(4-[4-(4-imidazol-1-yl-phenoxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2ccnc2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(8.91,-1.06,;7.59,-.29,;8.04,1.18,;7.11,-1.75,;8.02,-3,;9.56,-2.97,;10.36,-4.29,;9.61,-5.63,;10.41,-6.95,;11.95,-6.92,;12.7,-5.56,;11.89,-4.25,;12.74,-8.23,;12.15,-9.65,;13.31,-10.65,;14.63,-9.85,;14.27,-8.36,;5.56,-1.75,;5.09,-.29,;3.63,.18,;2.31,-.4,;.78,.19,;.72,1.72,;2.17,2.25,;3.63,1.72,;2.64,2.9,;1.2,2.31,;-.22,2.94,;1.32,.78,;1.19,3.86,;-.15,4.62,;2.52,4.64,;6.34,.62,;6.34,2.16,)| Show InChI InChI=1S/C27H34N4O3/c1-26(2)20(15-34-22-5-3-21(4-6-22)30-8-7-29-16-30)14-31(25(26)33)23-18-9-17-10-19(23)13-27(11-17,12-18)24(28)32/h3-8,16-20,23H,9-15H2,1-2H3,(H2,28,32)/t17?,18?,19?,20?,23-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193798
(6-((1-cycloheptyl-5-oxopyrrolidin-3-yl)methoxy)nic...)Show InChI InChI=1S/C18H23N3O2/c19-10-14-7-8-17(20-11-14)23-13-15-9-18(22)21(12-15)16-5-3-1-2-4-6-16/h7-8,11,15-16H,1-6,9,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
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