Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50046431 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 1
(Homo sapiens (Human)) | BDBM50112149
(CHEMBL3609877)Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-14.11,.25,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27ClFN3O4S/c1-20(2,26-31(29,30)16-4-3-14(23)7-15(16)22)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112154
(CHEMBL3608403)Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112151
(CHEMBL3608400)Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-7-14(22)3-4-15(16)23)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112152
(CHEMBL3608401 | US9464044, 84)Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-11.14,-3.53,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21? | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112133
(CHEMBL3609861 | US9464044, 71)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:16:17:21:23.25.24,26:24:21:19.18.17,THB:27:24:21:19.18.17,27:24:21.20.19:17,25:20:17:23.24.26,25:24:21.20.19:17,26:18:21:23.25.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-7.46,-.97,;-8.67,-1.93,;-8.49,-3.15,;-7.53,-2.38,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.17,;3.58,2.29,;3.79,.17,)| Show InChI InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112143
(CHEMBL3609871 | US9464044, 73)Show SMILES CC(C)(NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H28ClN3O4S/c1-20(2,25-30(28,29)16-5-3-4-15(22)8-16)19(27)24-17-13-6-12-7-14(17)11-21(9-12,10-13)18(23)26/h3-5,8,12-14,17,25H,6-7,9-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21? | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112142
(CHEMBL3609870 | US9464044, 81)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:16.16,TLB:20:21:25:24.18.19,20:19:25:16.21.22,16:17:24:21.20.22,THB:15:16:25:24.18.19,16:21:24:25.18.17,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O4S/c1-20(2,24-29(27,28)16-6-4-3-5-7-16)19(26)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)25/h3-7,13-15,17,24H,8-12H2,1-2H3,(H2,22,25)(H,23,26)/t13?,14?,15?,17-,21? | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112145
(CHEMBL3609873)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:20.20,TLB:24:25:29:28.22.23,24:23:29:20.25.26,20:21:28:25.24.26,THB:19:20:29:28.22.23,20:25:28:29.22.21,(-14.57,1.58,;-14.39,.36,;-15.36,-.4,;-15.54,.82,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-8.67,-1.93,;-7.53,-2.38,;-8.5,-3.15,;-7.46,-.97,;-6.03,-1.55,;-7,-2.31,;-5.85,-2.77,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C25H37N3O4S/c1-23(2,3)18-6-8-19(9-7-18)33(31,32)28-24(4,5)22(30)27-20-16-10-15-11-17(20)14-25(12-15,13-16)21(26)29/h6-9,15-17,20,28H,10-14H2,1-5H3,(H2,26,29)(H,27,30)/t15?,16?,17?,20-,25? | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112127
(CHEMBL3608407 | US9464044, 76)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CO)(C3)C2 |r,wD:17.17,TLB:21:22:28:27.19.20,21:20:28:17.22.23,17:18:27:22.21.23,THB:16:17:28:27.19.20,17:22:27:28.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.59,2.27,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C21H29FN2O4S/c1-20(2,24-29(27,28)17-6-4-3-5-16(17)22)19(26)23-18-14-7-13-8-15(18)11-21(9-13,10-14)12-25/h3-6,13-15,18,24-25H,7-12H2,1-2H3,(H,23,26)/t13?,14?,15?,18-,21? | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112141
(CHEMBL3609869 | US9464044, 3)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wD:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,THB:1:3:29:9.7.6,9:28:4:8.7.6,9:7:4:29.30.28,8:7:29:3.4.30,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-6.8,-5.55,;-5.66,-6.01,;-5.83,-4.79,;-8.01,-6.5,;-9.44,-5.93,;-10.65,-6.88,;-10.43,-8.41,;-9,-8.98,;-7.79,-8.03,;-6.65,-8.48,;-6.85,-.39,;-7.43,-1.82,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C22H28FN3O4S/c23-16-3-1-2-4-17(16)31(29,30)25-12-21(5-6-21)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h1-4,13-15,18,25H,5-12H2,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112154
(CHEMBL3608403)Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112140
(CHEMBL3609868 | US9464044, 68)Show SMILES CC(C)(CNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:17:18:22:25.26.24,18:19:26:22.24.23,27:25:22:18.19.20,THB:28:25:22:18.19.20,18:23:26:27.19.20,27:19:22:25.26.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-7.46,-.97,;-8.67,-1.93,;-10.1,-1.35,;-10.28,-.14,;-9.13,-.59,;-11.31,-2.31,;-12.74,-1.73,;-13.95,-2.69,;-13.73,-4.21,;-12.3,-4.78,;-11.09,-3.83,;-9.95,-4.29,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.16,;3.79,.16,;3.58,2.29,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,12-25-31(29,30)17-6-4-3-5-16(17)23)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h3-6,13-15,18,25H,7-12H2,1-2H3,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112153
(CHEMBL3608402 | US9464044, 83)Show SMILES CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112149
(CHEMBL3609877)Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-14.11,.25,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27ClFN3O4S/c1-20(2,26-31(29,30)16-4-3-14(23)7-15(16)22)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50112133
(CHEMBL3609861 | US9464044, 71)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:16:17:21:23.25.24,26:24:21:19.18.17,THB:27:24:21:19.18.17,27:24:21.20.19:17,25:20:17:23.24.26,25:24:21.20.19:17,26:18:21:23.25.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-7.46,-.97,;-8.67,-1.93,;-8.49,-3.15,;-7.53,-2.38,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.17,;3.58,2.29,;3.79,.17,)| Show InChI InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21? | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112152
(CHEMBL3608401 | US9464044, 84)Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-11.14,-3.53,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21? | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112143
(CHEMBL3609871 | US9464044, 73)Show SMILES CC(C)(NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H28ClN3O4S/c1-20(2,25-30(28,29)16-5-3-4-15(22)8-16)19(27)24-17-13-6-12-7-14(17)11-21(9-12,10-13)18(23)26/h3-5,8,12-14,17,25H,6-7,9-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21? | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112141
(CHEMBL3609869 | US9464044, 3)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wD:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,THB:1:3:29:9.7.6,9:28:4:8.7.6,9:7:4:29.30.28,8:7:29:3.4.30,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-6.8,-5.55,;-5.66,-6.01,;-5.83,-4.79,;-8.01,-6.5,;-9.44,-5.93,;-10.65,-6.88,;-10.43,-8.41,;-9,-8.98,;-7.79,-8.03,;-6.65,-8.48,;-6.85,-.39,;-7.43,-1.82,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C22H28FN3O4S/c23-16-3-1-2-4-17(16)31(29,30)25-12-21(5-6-21)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h1-4,13-15,18,25H,5-12H2,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22? | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112148
(CHEMBL3609876)Show SMILES CC(C)(NS(=O)(=O)c1cccc(Cl)c1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27ClFN3O4S/c1-20(2,26-31(29,30)15-5-3-4-14(22)16(15)23)19(28)25-17-12-6-11-7-13(17)10-21(8-11,9-12)18(24)27/h3-5,11-13,17,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112150
(CHEMBL3608399)Show SMILES CC(C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:19.19,TLB:23:24:28:27.21.22,23:22:28:19.24.25,19:20:27:24.23.25,THB:18:19:28:27.21.22,19:24:27:28.21.20,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-14.11,.25,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H26F3N3O4S/c1-20(2,27-32(30,31)16-6-14(23)13(22)5-15(16)24)19(29)26-17-11-3-10-4-12(17)9-21(7-10,8-11)18(25)28/h5-6,10-12,17,27H,3-4,7-9H2,1-2H3,(H2,25,28)(H,26,29)/t10?,11?,12?,17-,21? | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112131
(CHEMBL3608411 | US9464044, 80)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:29:22.21.23,21:22:30:29.19.20,21:20:30:17.22.23,THB:16:17:30:29.19.20,17:22:29:30.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;3.01,3.56,;4.95,2.66,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,26-31(29,30)17-6-4-3-5-16(17)23)20(28)25-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(24)27/h3-6,13-15,19,26H,7-12H2,1-2H3,(H2,24,27)(H,25,28)/t13?,14?,15?,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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112153
(CHEMBL3608402 | US9464044, 83)Show SMILES CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112127
(CHEMBL3608407 | US9464044, 76)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CO)(C3)C2 |r,wD:17.17,TLB:21:22:28:27.19.20,21:20:28:17.22.23,17:18:27:22.21.23,THB:16:17:28:27.19.20,17:22:27:28.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.59,2.27,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C21H29FN2O4S/c1-20(2,24-29(27,28)17-6-4-3-5-16(17)22)19(26)23-18-14-7-13-8-15(18)11-21(9-13,10-14)12-25/h3-6,13-15,18,24-25H,7-12H2,1-2H3,(H,23,26)/t13?,14?,15?,18-,21? | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112136
(CHEMBL3609864 | US9464044, 39)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CC1)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.1,-2.62,;-6.62,-2.84,;-7.46,-.97,;-7.68,.55,;-6.54,.09,;-6.71,1.31,;-9.11,1.12,;-9.33,2.65,;-10.76,3.22,;-11.97,2.27,;-11.75,.74,;-10.32,.17,;-10.15,-1.05,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C21H26FN3O4S/c22-15-3-1-2-4-16(15)30(28,29)25-21(5-6-21)19(27)24-17-13-7-12-8-14(17)11-20(9-12,10-13)18(23)26/h1-4,12-14,17,25H,5-11H2,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112133
(CHEMBL3609861 | US9464044, 71)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:16:17:21:23.25.24,26:24:21:19.18.17,THB:27:24:21:19.18.17,27:24:21.20.19:17,25:20:17:23.24.26,25:24:21.20.19:17,26:18:21:23.25.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-7.46,-.97,;-8.67,-1.93,;-8.49,-3.15,;-7.53,-2.38,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.17,;3.58,2.29,;3.79,.17,)| Show InChI InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112142
(CHEMBL3609870 | US9464044, 81)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:16.16,TLB:20:21:25:24.18.19,20:19:25:16.21.22,16:17:24:21.20.22,THB:15:16:25:24.18.19,16:21:24:25.18.17,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O4S/c1-20(2,24-29(27,28)16-6-4-3-5-7-16)19(26)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)25/h3-7,13-15,17,24H,8-12H2,1-2H3,(H2,22,25)(H,23,26)/t13?,14?,15?,17-,21? | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112134
(CHEMBL3609862)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:8:3:22:6.7.9,10:9:22:23.4.3,THB:4:5:9:23.3.8,4:3:22.5.6:9,8:7:22:23.4.3,1:3:22:6.7.9,1:3:22.5.6:9,(3.58,2.29,;3.07,1.17,;3.79,.17,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-3.85,.17,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.97,;-7.63,.25,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C17H21FN2O3S/c18-13-3-1-2-4-14(13)24(22,23)20-15-11-5-10-6-12(15)9-17(7-10,8-11)16(19)21/h1-4,10-12,15,20H,5-9H2,(H2,19,21)/t10?,11?,12?,15-,17? | 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 |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112144
(CHEMBL3609872 | US9464044, 88)Show SMILES CC(C)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-14.11,.25,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H28ClN3O4S/c1-20(2,25-30(28,29)16-5-3-15(22)4-6-16)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21? | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112146
(CHEMBL3609874)Show SMILES CC(C)(NS(=O)(=O)c1ccc(O)cc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-14.11,.25,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O5S/c1-20(2,24-30(28,29)16-5-3-15(25)4-6-16)19(27)23-17-13-7-12-8-14(17)11-21(9-12,10-13)18(22)26/h3-6,12-14,17,24-25H,7-11H2,1-2H3,(H2,22,26)(H,23,27)/t12?,13?,14?,17-,21? | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112130
(CHEMBL3608410)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(=N)NO |r,wD:17.17,TLB:17:18:25:22.21.23,21:22:26:25.19.20,21:20:26:17.22.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.72,2.55,;4.95,2.66,)| Show InChI InChI=1S/C21H29FN4O4S/c1-20(2,26-31(29,30)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-28/h3-6,12-14,17,26,28H,7-11H2,1-2H3,(H2,23,25)(H,24,27)/t12?,13?,14?,17-,21? | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112145
(CHEMBL3609873)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:20.20,TLB:24:25:29:28.22.23,24:23:29:20.25.26,20:21:28:25.24.26,THB:19:20:29:28.22.23,20:25:28:29.22.21,(-14.57,1.58,;-14.39,.36,;-15.36,-.4,;-15.54,.82,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-8.67,-1.93,;-7.53,-2.38,;-8.5,-3.15,;-7.46,-.97,;-6.03,-1.55,;-7,-2.31,;-5.85,-2.77,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C25H37N3O4S/c1-23(2,3)18-6-8-19(9-7-18)33(31,32)28-24(4,5)22(30)27-20-16-10-15-11-17(20)14-25(12-15,13-16)21(26)29/h6-9,15-17,20,28H,10-14H2,1-5H3,(H2,26,29)(H,27,30)/t15?,16?,17?,20-,25? | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112146
(CHEMBL3609874)Show SMILES CC(C)(NS(=O)(=O)c1ccc(O)cc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-14.11,.25,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O5S/c1-20(2,24-30(28,29)16-5-3-15(25)4-6-16)19(27)23-17-13-7-12-8-14(17)11-21(9-12,10-13)18(22)26/h3-6,12-14,17,24-25H,7-11H2,1-2H3,(H2,22,26)(H,23,27)/t12?,13?,14?,17-,21? | 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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112147
(CHEMBL3609875)Show SMILES CN(C)COc1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:21.21,TLB:25:26:30:29.23.24,25:24:30:21.26.27,21:22:29:26.25.27,THB:20:21:30:29.23.24,21:26:29:30.23.22,(-18,-.79,;-17.03,-.03,;-17.21,1.19,;-15.6,-.6,;-14.39,.36,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-7.46,-.97,;-6.03,-1.55,;-7,-2.31,;-5.85,-2.77,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C24H36N4O5S/c1-23(2,27-34(31,32)19-7-5-18(6-8-19)33-14-28(3)4)22(30)26-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h5-8,15-17,20,27H,9-14H2,1-4H3,(H2,25,29)(H,26,30)/t15?,16?,17?,20-,24? | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112144
(CHEMBL3609872 | US9464044, 88)Show SMILES CC(C)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-14.11,.25,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H28ClN3O4S/c1-20(2,25-30(28,29)16-5-3-15(22)4-6-16)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21? | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112151
(CHEMBL3608400)Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-7-14(22)3-4-15(16)23)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21? | 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 | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112136
(CHEMBL3609864 | US9464044, 39)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CC1)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.1,-2.62,;-6.62,-2.84,;-7.46,-.97,;-7.68,.55,;-6.54,.09,;-6.71,1.31,;-9.11,1.12,;-9.33,2.65,;-10.76,3.22,;-11.97,2.27,;-11.75,.74,;-10.32,.17,;-10.15,-1.05,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C21H26FN3O4S/c22-15-3-1-2-4-16(15)30(28,29)25-21(5-6-21)19(27)24-17-13-7-12-8-14(17)11-20(9-12,10-13)18(23)26/h1-4,12-14,17,25H,5-11H2,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,20? | 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 | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112140
(CHEMBL3609868 | US9464044, 68)Show SMILES CC(C)(CNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:17:18:22:25.26.24,18:19:26:22.24.23,27:25:22:18.19.20,THB:28:25:22:18.19.20,18:23:26:27.19.20,27:19:22:25.26.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-7.46,-.97,;-8.67,-1.93,;-10.1,-1.35,;-10.28,-.14,;-9.13,-.59,;-11.31,-2.31,;-12.74,-1.73,;-13.95,-2.69,;-13.73,-4.21,;-12.3,-4.78,;-11.09,-3.83,;-9.95,-4.29,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.16,;3.79,.16,;3.58,2.29,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,12-25-31(29,30)17-6-4-3-5-16(17)23)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h3-6,13-15,18,25H,7-12H2,1-2H3,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22? | 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 | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112150
(CHEMBL3608399)Show SMILES CC(C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:19.19,TLB:23:24:28:27.21.22,23:22:28:19.24.25,19:20:27:24.23.25,THB:18:19:28:27.21.22,19:24:27:28.21.20,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-11.93,1.96,;-12.96,-.21,;-14.11,.25,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H26F3N3O4S/c1-20(2,27-32(30,31)16-6-14(23)13(22)5-15(16)24)19(29)26-17-11-3-10-4-12(17)9-21(7-10,8-11)18(25)28/h5-6,10-12,17,27H,3-4,7-9H2,1-2H3,(H2,25,28)(H,26,29)/t10?,11?,12?,17-,21? | 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 | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112134
(CHEMBL3609862)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:8:3:22:6.7.9,10:9:22:23.4.3,THB:4:5:9:23.3.8,4:3:22.5.6:9,8:7:22:23.4.3,1:3:22:6.7.9,1:3:22.5.6:9,(3.58,2.29,;3.07,1.17,;3.79,.17,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-3.85,.17,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.97,;-7.63,.25,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C17H21FN2O3S/c18-13-3-1-2-4-14(13)24(22,23)20-15-11-5-10-6-12(15)9-17(7-10,8-11)16(19)21/h1-4,10-12,15,20H,5-9H2,(H2,19,21)/t10?,11?,12?,15-,17? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112131
(CHEMBL3608411 | US9464044, 80)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:29:22.21.23,21:22:30:29.19.20,21:20:30:17.22.23,THB:16:17:30:29.19.20,17:22:29:30.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;3.01,3.56,;4.95,2.66,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,26-31(29,30)17-6-4-3-5-16(17)23)20(28)25-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(24)27/h3-6,13-15,19,26H,7-12H2,1-2H3,(H2,24,27)(H,25,28)/t13?,14?,15?,19-,22? | 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 | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112132
(CHEMBL3608412)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CCC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:30:22.21.23,21:22:31:30.19.20,21:20:31:17.22.23,THB:16:17:31:30.19.20,17:22:30:31.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;5.26,2.69,;5.96,1.68,;5.77,3.81,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C23H32FN3O4S/c1-22(2,27-32(30,31)18-6-4-3-5-17(18)24)21(29)26-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(25)28/h3-6,14-16,20,27H,7-13H2,1-2H3,(H2,25,28)(H,26,29)/t14?,15?,16?,20-,23? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 543 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112130
(CHEMBL3608410)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(=N)NO |r,wD:17.17,TLB:17:18:25:22.21.23,21:22:26:25.19.20,21:20:26:17.22.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.72,2.55,;4.95,2.66,)| Show InChI InChI=1S/C21H29FN4O4S/c1-20(2,26-31(29,30)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-28/h3-6,12-14,17,26,28H,7-11H2,1-2H3,(H2,23,25)(H,24,27)/t12?,13?,14?,17-,21? | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112129
(CHEMBL3608409)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC#N)(C3)C2 |r,wD:17.17,TLB:21:22:29:28.19.20,21:20:29:17.22.23,17:18:28:22.21.23,THB:16:17:29:28.19.20,17:22:28:29.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;4.24,3.67,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H28FN3O3S/c1-21(2,26-30(28,29)18-6-4-3-5-17(18)23)20(27)25-19-15-9-14-10-16(19)13-22(11-14,12-15)7-8-24/h3-6,14-16,19,26H,7,9-13H2,1-2H3,(H,25,27)/t14?,15?,16?,19-,22? | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112128
(CHEMBL3608408)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC(O)=O)(C3)C2 |r,wD:17.17,TLB:17:18:29:22.21.23,21:22:30:29.19.20,21:20:30:17.22.23,THB:16:17:30:29.19.20,17:22:29:30.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;3.01,3.56,;4.95,2.66,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H29FN2O5S/c1-21(2,25-31(29,30)17-6-4-3-5-16(17)23)20(28)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(26)27/h3-6,13-15,19,25H,7-12H2,1-2H3,(H,24,28)(H,26,27)/t13?,14?,15?,19-,22? | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112126
(CHEMBL3608406 | US9464044, 74)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C#N |r,wD:17.17,TLB:17:18:25:22.21.23,21:22:26:25.19.20,21:20:26:17.22.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;4.3,1.26,)| Show InChI InChI=1S/C21H26FN3O3S/c1-20(2,25-29(27,28)17-6-4-3-5-16(17)22)19(26)24-18-14-7-13-8-15(18)11-21(9-13,10-14)12-23/h3-6,13-15,18,25H,7-11H2,1-2H3,(H,24,26)/t13?,14?,15?,18-,21? | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112156
(CHEMBL3608405)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(=O)NN |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.72,2.55,;4.95,2.66,)| Show InChI InChI=1S/C21H29FN4O4S/c1-20(2,26-31(29,30)16-6-4-3-5-15(16)22)18(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)19(28)25-23/h3-6,12-14,17,26H,7-11,23H2,1-2H3,(H,24,27)(H,25,28)/t12?,13?,14?,17-,21? | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112155
(CHEMBL3608404)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(O)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27FN2O5S/c1-20(2,24-30(28,29)16-6-4-3-5-15(16)22)18(25)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(26)27/h3-6,12-14,17,24H,7-11H2,1-2H3,(H,23,25)(H,26,27)/t12?,13?,14?,17-,21? | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112139
(CHEMBL3609867)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:10:9:27:3.4.28,8:3:27:9.7.6,THB:1:3:27:9.7.6,9:26:4:8.7.6,9:7:4:27.28.26,8:7:27:3.4.28,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-7.46,-.97,;-8.67,-1.93,;-10.1,-1.35,;-10.28,-.14,;-9.13,-.59,;-11.31,-2.31,;-12.74,-1.73,;-13.95,-2.69,;-13.73,-4.21,;-12.3,-4.78,;-11.09,-3.83,;-9.95,-4.29,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C20H26FN3O4S/c21-15-3-1-2-4-16(15)29(27,28)23-6-5-17(25)24-18-13-7-12-8-14(18)11-20(9-12,10-13)19(22)26/h1-4,12-14,18,23H,5-11H2,(H2,22,26)(H,24,25)/t12?,13?,14?,18-,20? | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112138
(CHEMBL3609866)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,13.14,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-4.66,-3.53,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/m0/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112137
(CHEMBL3609865)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wU:13.14,wD:9.10,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-4.66,-3.53,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
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