Found 38 hits with Last Name = 'wilckens' and Initial = 't' 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 |
|---|
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188387
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...)Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188390
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1 | 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 | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188387
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...)Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 | 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 | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188385
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188386
(2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...)Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188390
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1 | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188386
(2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...)Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188385
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188387
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...)Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 | 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 | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188389
(CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...)Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50188390
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of GR-mediated transactivation of galactosidase reporter gene in HEK293 cells expressing 11betaHSD1 |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188388
((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...)Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188388
((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...)Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/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 | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188385
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188385
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188386
(2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...)Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50188389
(CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...)Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact 3T3 L1 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188390
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50188389
(CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...)Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact C2C12 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188389
(CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...)Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188387
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...)Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188385
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188391
(4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-me...)Show SMILES COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19-20H,8-9H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188391
(4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-me...)Show SMILES COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19-20H,8-9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188386
(2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...)Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50188390
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of GR-mediated transactivation of galactosidase reporter gene in HEK293 cells in absence of 11betaHSD1 |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188388
((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...)Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/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 | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50188385
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50188389
(CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...)Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50188390
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Antagonist activity against MR |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188388
((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...)Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1 | KEGG
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188390
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188391
(4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-me...)Show SMILES COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19-20H,8-9H2,1-3H3 | KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50188387
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...)Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50188388
((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...)Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50188391
(4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-me...)Show SMILES COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19-20H,8-9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50188386
(2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...)Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50188391
(4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-me...)Show SMILES COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19-20H,8-9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells |
J Med Chem 49: 3454-66 (2006)
Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F |
More data for this
Ligand-Target Pair | |
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