Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50045533 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)) | BDBM50066870
(CHEMBL3401672)Show SMILES NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.88,3.25,;-18.7,2.03,;-19.66,1.26,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H33N5O3/c28-25(33)18-4-6-21(7-5-18)31-8-10-32(11-9-31)23-3-1-2-22(29-23)26(34)30-24-19-12-17-13-20(24)16-27(35,14-17)15-19/h1-7,17,19-20,24,35H,8-16H2,(H2,28,33)(H,30,34)/t17?,19?,20?,24-,27- | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066894
(CHEMBL3401683)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C(N)=O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.66,1.29,;-18.86,3.27,)| Show InChI InChI=1S/C28H35N5O3/c1-17-16-32(22-7-5-19(6-8-22)26(29)34)9-10-33(17)24-4-2-3-23(30-24)27(35)31-25-20-11-18-12-21(25)15-28(36,13-18)14-20/h2-8,17-18,20-21,25,36H,9-16H2,1H3,(H2,29,34)(H,31,35)/t17-,18?,20?,21?,25-,28-/m1/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066871
(CHEMBL3401671)Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:32.36,wD:25.27,TLB:29:28:35:31.30.25,29:30:34.28.27:35,25:26:34:31.29.30,THB:25:30:34:27.26.35,24:25:34.28.27:35,(-19.84,2.49,;-18.69,2.04,;-18.88,3.25,;-19.66,1.27,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O4S/c1-36(34,35)22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27- | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50066892
(CHEMBL3401681)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.51,;-19.66,1.29,;-18.87,3.27,)| Show InChI InChI=1S/C28H36N4O4S/c1-18-17-31(22-6-8-23(9-7-22)37(2,35)36)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066887
(CHEMBL3401676)Show SMILES NC(=O)c1ccc(N2CCN(CC2)c2cccc(n2)C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(Cl)c1 |r,wU:29.32,wD:22.23,TLB:26:25:32:28.27.22,26:27:31.25.24:32,22:23:31:28.26.27,THB:22:27:31:24.23.32,21:22:31.25.24:32,(-19.66,1.27,;-18.69,2.04,;-18.87,3.26,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-14.4,.34,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.62,1.86,;-13.66,2.63,;-16.06,2.43,)| Show InChI InChI=1S/C27H32ClN5O3/c28-20-12-17(25(29)34)4-5-22(20)32-6-8-33(9-7-32)23-3-1-2-21(30-23)26(35)31-24-18-10-16-11-19(24)15-27(36,13-16)14-18/h1-5,12,16,18-19,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)/t16?,18?,19?,24-,27- | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066874
(CHEMBL3401668)Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:30.34,wD:23.25,TLB:27:26:33:29.28.23,27:28:32.26.25:33,23:24:32:29.27.28,THB:23:28:32:25.24.33,22:23:32.26.25:33,(-19.66,1.26,;-18.7,2.03,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O3/c1-34-22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27- | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066873
(CHEMBL3401669)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.7,2.03,;-18.88,3.25,;-19.66,1.26,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31N5O4/c32-25(28-24-18-12-17-13-19(24)16-26(33,14-17)15-18)22-2-1-3-23(27-22)30-10-8-29(9-11-30)20-4-6-21(7-5-20)31(34)35/h1-7,17-19,24,33H,8-16H2,(H,28,32)/t17?,18?,19?,24-,26- | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066880
(CHEMBL3401662)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)C1CCN(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C28H32N4O2/c29-17-18-4-6-23(7-5-18)32-10-8-20(9-11-32)24-2-1-3-25(30-24)27(33)31-26-21-12-19-13-22(26)16-28(34,14-19)15-21/h1-7,19-22,26,34H,8-16H2,(H,31,33)/t19?,21?,22?,26-,28- | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066892
(CHEMBL3401681)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.51,;-19.66,1.29,;-18.87,3.27,)| Show InChI InChI=1S/C28H36N4O4S/c1-18-17-31(22-6-8-23(9-7-22)37(2,35)36)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066885
(CHEMBL3401674)Show SMILES NC(=O)c1ccc(cc1F)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:32.36,wD:25.27,TLB:29:28:35:31.30.25,29:30:34.28.27:35,25:26:34:31.29.30,THB:25:30:34:27.26.35,24:25:34.28.27:35,(-19.66,1.27,;-18.69,2.04,;-18.87,3.26,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-18,-.82,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H32FN5O3/c28-21-12-19(4-5-20(21)25(29)34)32-6-8-33(9-7-32)23-3-1-2-22(30-23)26(35)31-24-17-10-16-11-18(24)15-27(36,13-16)14-17/h1-5,12,16-18,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)/t16?,17?,18?,24-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066883
(CHEMBL3401659)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cn1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H30N6O2/c27-15-17-4-5-22(28-16-17)31-6-8-32(9-7-31)23-3-1-2-21(29-23)25(33)30-24-19-10-18-11-20(24)14-26(34,12-18)13-19/h1-5,16,18-20,24,34H,6-14H2,(H,30,33)/t18?,19?,20?,24-,26- | 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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50066871
(CHEMBL3401671)Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:32.36,wD:25.27,TLB:29:28:35:31.30.25,29:30:34.28.27:35,25:26:34:31.29.30,THB:25:30:34:27.26.35,24:25:34.28.27:35,(-19.84,2.49,;-18.69,2.04,;-18.88,3.25,;-19.66,1.27,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O4S/c1-36(34,35)22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066890
(CHEMBL3401679)Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,12.13,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.86,3.27,;-18.69,2.05,;-17.26,1.48,;-17.03,-.04,;-15.6,-.61,;-14.4,.34,;-14.62,1.86,;-16.05,2.43,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-10.32,.16,;-9.36,.93,;-11.76,.73,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C28H36N4O3/c1-18-17-31(22-6-8-23(35-2)9-7-22)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50060409
(CHEMBL3394415)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:33:6.5.7,4:5:33:3.2.32,THB:8:7:33:3.2.32,2:3:7:6.33.1,2:1:7:3.4.32,0:1:7:3.4.32,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-18.69,2.04,;-19.84,2.49,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C27H31N5O2/c28-17-18-4-6-22(7-5-18)31-8-10-32(11-9-31)24-3-1-2-23(29-24)26(33)30-25-20-12-19-13-21(25)16-27(34,14-19)15-20/h1-7,19-21,25,34H,8-16H2,(H,30,33)/t19?,20?,21?,25-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066877
(CHEMBL3401665)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(Cl)cc1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:31:30:2.3.4:6,THB:31:3:6:32.30.7,7:30:2:4.5.6,7:5:2:32.31.30,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-18.41,1.92,;-17.03,-.05,;-15.6,-.62,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31ClN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32)/t17?,18?,19?,24-,26- | 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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066892
(CHEMBL3401681)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.51,;-19.66,1.29,;-18.87,3.27,)| Show InChI InChI=1S/C28H36N4O4S/c1-18-17-31(22-6-8-23(9-7-22)37(2,35)36)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066876
(CHEMBL3401666)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:34:33:2.3.4:6,THB:34:3:6:35.33.7,7:33:2:4.5.6,7:5:2:35.34.33,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-18.88,3.25,;-19.66,1.27,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C27H31F3N4O2/c28-27(29,30)20-4-6-21(7-5-20)33-8-10-34(11-9-33)23-3-1-2-22(31-23)25(35)32-24-18-12-17-13-19(24)16-26(36,14-17)15-18/h1-7,17-19,24,36H,8-16H2,(H,32,35)/t17?,18?,19?,24-,26- | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066888
(CHEMBL3401677)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C#N |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.5,)| Show InChI InChI=1S/C28H33N5O2/c1-18-17-32(23-7-5-19(16-29)6-8-23)9-10-33(18)25-4-2-3-24(30-25)27(34)31-26-21-11-20-12-22(26)15-28(35,13-20)14-21/h2-8,18,20-22,26,35H,9-15,17H2,1H3,(H,31,34)/t18-,20?,21?,22?,26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066881
(CHEMBL3401661)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(CC1)c1ccc(cn1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C27H31N5O2/c28-15-17-4-5-22(29-16-17)19-6-8-32(9-7-19)24-3-1-2-23(30-24)26(33)31-25-20-10-18-11-21(25)14-27(34,12-18)13-20/h1-5,16,18-21,25,34H,6-14H2,(H,31,33)/t18?,20?,21?,25-,27- | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066875
(CHEMBL3401667)Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:29.33,wD:22.24,TLB:26:25:32:28.27.22,26:27:31.25.24:32,22:23:31:28.26.27,THB:22:27:31:24.23.32,21:22:31.25.24:32,(-18.41,1.92,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O2/c1-18-5-7-22(8-6-18)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-20-13-19-14-21(25)17-27(33,15-19)16-20/h2-8,19-21,25,33H,9-17H2,1H3,(H,29,32)/t19?,20?,21?,25-,27- | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066879
(CHEMBL3401663)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)C1CCN(CC1)c1ccc(cn1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C27H31N5O2/c28-15-17-4-5-24(29-16-17)32-8-6-19(7-9-32)22-2-1-3-23(30-22)26(33)31-25-20-10-18-11-21(25)14-27(34,12-18)13-20/h1-5,16,18-21,25,34H,6-14H2,(H,31,33)/t18?,20?,21?,25-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066895
(CHEMBL3401684)Show SMILES CNC(=O)c1ccc(cc1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:33.37,14.15,wD:26.28,TLB:30:29:36:32.31.26,30:31:35.29.28:36,26:27:35:32.30.31,THB:26:31:35:28.27.36,25:26:35.29.28:36,(-20.05,4.04,;-18.91,3.58,;-18.69,2.05,;-19.66,1.29,;-17.26,1.48,;-17.03,-.04,;-15.6,-.61,;-14.4,.34,;-14.62,1.86,;-16.05,2.43,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-10.32,.16,;-9.36,.93,;-11.76,.73,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C29H37N5O3/c1-18-17-33(23-8-6-20(7-9-23)27(35)30-2)10-11-34(18)25-5-3-4-24(31-25)28(36)32-26-21-12-19-13-22(26)16-29(37,14-19)15-21/h3-9,18-19,21-22,26,37H,10-17H2,1-2H3,(H,30,35)(H,32,36)/t18-,19?,21?,22?,26-,29-/m1/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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066871
(CHEMBL3401671)Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:32.36,wD:25.27,TLB:29:28:35:31.30.25,29:30:34.28.27:35,25:26:34:31.29.30,THB:25:30:34:27.26.35,24:25:34.28.27:35,(-19.84,2.49,;-18.69,2.04,;-18.88,3.25,;-19.66,1.27,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O4S/c1-36(34,35)22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27- | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066896
(CHEMBL3401685)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C(C)(C)O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-18.87,3.27,;-19.83,2.51,;-19.66,1.29,)| Show InChI InChI=1S/C30H40N4O3/c1-19-18-33(24-9-7-23(8-10-24)29(2,3)36)11-12-34(19)26-6-4-5-25(31-26)28(35)32-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,36-37H,11-18H2,1-3H3,(H,32,35)/t19-,20?,21?,22?,27-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066893
(CHEMBL3401682)Show SMILES C[C@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wU:23.26,wD:16.17,1.0,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.51,;-19.66,1.29,;-18.87,3.27,)| Show InChI InChI=1S/C28H36N4O4S/c1-18-17-31(22-6-8-23(9-7-22)37(2,35)36)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066878
(CHEMBL3401664)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(F)cc1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:31:30:2.3.4:6,THB:31:3:6:32.30.7,7:30:2:4.5.6,7:5:2:32.31.30,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-18.41,1.92,;-17.03,-.05,;-15.6,-.62,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31FN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32)/t17?,18?,19?,24-,26- | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066886
(CHEMBL3401675)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1Cl)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-13.66,2.63,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C27H30ClN5O2/c28-21-12-17(16-29)4-5-23(21)32-6-8-33(9-7-32)24-3-1-2-22(30-24)26(34)31-25-19-10-18-11-20(25)15-27(35,13-18)14-19/h1-5,12,18-20,25,35H,6-11,13-15H2,(H,31,34)/t18?,19?,20?,25-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066896
(CHEMBL3401685)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C(C)(C)O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-18.87,3.27,;-19.83,2.51,;-19.66,1.29,)| Show InChI InChI=1S/C30H40N4O3/c1-19-18-33(24-9-7-23(8-10-24)29(2,3)36)11-12-34(19)26-6-4-5-25(31-26)28(35)32-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,36-37H,11-18H2,1-3H3,(H,32,35)/t19-,20?,21?,22?,27-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066891
(CHEMBL3401680)Show SMILES COc1ccc(cc1)N1CCN([C@@H](C)C1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,wD:24.26,12.13,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.86,3.27,;-18.69,2.05,;-17.26,1.48,;-17.03,-.04,;-15.6,-.61,;-14.4,.34,;-14.62,1.86,;-16.05,2.43,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-10.32,.16,;-9.36,.93,;-11.76,.73,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C28H36N4O3/c1-18-17-31(22-6-8-23(35-2)9-7-22)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066888
(CHEMBL3401677)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C#N |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.5,)| Show InChI InChI=1S/C28H33N5O2/c1-18-17-32(23-7-5-19(16-29)6-8-23)9-10-33(18)25-4-2-3-24(30-25)27(34)31-26-21-11-20-12-22(26)15-28(35,13-20)14-21/h2-8,18,20-22,26,35H,9-15,17H2,1H3,(H,31,34)/t18-,20?,21?,22?,26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066884
(CHEMBL3401673)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(C#N)c(F)c1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-18.69,2.04,;-19.84,2.49,;-17.03,-.05,;-18,-.82,;-15.6,-.62,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C27H30FN5O2/c28-22-12-21(5-4-18(22)16-29)32-6-8-33(9-7-32)24-3-1-2-23(30-24)26(34)31-25-19-10-17-11-20(25)15-27(35,13-17)14-19/h1-5,12,17,19-20,25,35H,6-11,13-15H2,(H,31,34)/t17?,19?,20?,25-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066890
(CHEMBL3401679)Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,12.13,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.86,3.27,;-18.69,2.05,;-17.26,1.48,;-17.03,-.04,;-15.6,-.61,;-14.4,.34,;-14.62,1.86,;-16.05,2.43,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-10.32,.16,;-9.36,.93,;-11.76,.73,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C28H36N4O3/c1-18-17-31(22-6-8-23(35-2)9-7-22)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066889
(CHEMBL3401678)Show SMILES C[C@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C#N |r,wU:23.26,wD:16.17,1.0,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.5,)| Show InChI InChI=1S/C28H33N5O2/c1-18-17-32(23-7-5-19(16-29)6-8-23)9-10-33(18)25-4-2-3-24(30-25)27(34)31-26-21-11-20-12-22(26)15-28(35,13-20)14-21/h2-8,18,20-22,26,35H,9-15,17H2,1H3,(H,31,34)/t18-,20?,21?,22?,26-,28-/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 | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50066896
(CHEMBL3401685)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C(C)(C)O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-18.87,3.27,;-19.83,2.51,;-19.66,1.29,)| Show InChI InChI=1S/C30H40N4O3/c1-19-18-33(24-9-7-23(8-10-24)29(2,3)36)11-12-34(19)26-6-4-5-25(31-26)28(35)32-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,36-37H,11-18H2,1-3H3,(H,32,35)/t19-,20?,21?,22?,27-,30-/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 | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50060409
(CHEMBL3394415)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:33:6.5.7,4:5:33:3.2.32,THB:8:7:33:3.2.32,2:3:7:6.33.1,2:1:7:3.4.32,0:1:7:3.4.32,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-18.69,2.04,;-19.84,2.49,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C27H31N5O2/c28-17-18-4-6-22(7-5-18)31-8-10-32(11-9-31)24-3-1-2-23(29-24)26(33)30-25-20-12-19-13-21(25)16-27(34,14-19)15-20/h1-7,19-21,25,34H,8-16H2,(H,30,33)/t19?,20?,21?,25-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066882
(CHEMBL3401660)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C28H32N4O2/c29-17-18-4-6-20(7-5-18)21-8-10-32(11-9-21)25-3-1-2-24(30-25)27(33)31-26-22-12-19-13-23(26)16-28(34,14-19)15-22/h1-7,19,21-23,26,34H,8-16H2,(H,31,33)/t19?,22?,23?,26-,28- | 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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066893
(CHEMBL3401682)Show SMILES C[C@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wU:23.26,wD:16.17,1.0,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.51,;-19.66,1.29,;-18.87,3.27,)| Show InChI InChI=1S/C28H36N4O4S/c1-18-17-31(22-6-8-23(9-7-22)37(2,35)36)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066887
(CHEMBL3401676)Show SMILES NC(=O)c1ccc(N2CCN(CC2)c2cccc(n2)C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(Cl)c1 |r,wU:29.32,wD:22.23,TLB:26:25:32:28.27.22,26:27:31.25.24:32,22:23:31:28.26.27,THB:22:27:31:24.23.32,21:22:31.25.24:32,(-19.66,1.27,;-18.69,2.04,;-18.87,3.26,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-14.4,.34,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.62,1.86,;-13.66,2.63,;-16.06,2.43,)| Show InChI InChI=1S/C27H32ClN5O3/c28-20-12-17(25(29)34)4-5-22(20)32-6-8-33(9-7-32)23-3-1-2-21(30-23)26(35)31-24-18-10-16-11-19(24)15-27(36,13-16)14-18/h1-5,12,16,18-19,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)/t16?,18?,19?,24-,27- | 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 | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066894
(CHEMBL3401683)Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C(N)=O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.66,1.29,;-18.86,3.27,)| Show InChI InChI=1S/C28H35N5O3/c1-17-16-32(22-7-5-19(6-8-22)26(29)34)9-10-33(17)24-4-2-3-23(30-24)27(35)31-25-20-11-18-12-21(25)15-28(36,13-18)14-20/h2-8,17-18,20-21,25,36H,9-16H2,1H3,(H2,29,34)(H,31,35)/t17-,18?,20?,21?,25-,28-/m1/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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066872
(CHEMBL3401670)Show SMILES Nc1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:29.33,wD:22.24,TLB:26:25:32:28.27.22,26:27:31.25.24:32,22:23:31:28.26.27,THB:22:27:31:24.23.32,21:22:31.25.24:32,(-18.41,1.92,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C26H33N5O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16,27H2,(H,29,32)/t17?,18?,19?,24-,26- | 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 | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066895
(CHEMBL3401684)Show SMILES CNC(=O)c1ccc(cc1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:33.37,14.15,wD:26.28,TLB:30:29:36:32.31.26,30:31:35.29.28:36,26:27:35:32.30.31,THB:26:31:35:28.27.36,25:26:35.29.28:36,(-20.05,4.04,;-18.91,3.58,;-18.69,2.05,;-19.66,1.29,;-17.26,1.48,;-17.03,-.04,;-15.6,-.61,;-14.4,.34,;-14.62,1.86,;-16.05,2.43,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-10.32,.16,;-9.36,.93,;-11.76,.73,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C29H37N5O3/c1-18-17-33(23-8-6-20(7-9-23)27(35)30-2)10-11-34(18)25-5-3-4-24(31-25)28(36)32-26-21-12-19-13-22(26)16-29(37,14-19)15-21/h3-9,18-19,21-22,26,37H,10-17H2,1-2H3,(H,30,35)(H,32,36)/t18-,19?,21?,22?,26-,29-/m1/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 | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066877
(CHEMBL3401665)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(Cl)cc1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:31:30:2.3.4:6,THB:31:3:6:32.30.7,7:30:2:4.5.6,7:5:2:32.31.30,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-18.41,1.92,;-17.03,-.05,;-15.6,-.62,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31ClN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32)/t17?,18?,19?,24-,26- | 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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066889
(CHEMBL3401678)Show SMILES C[C@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C#N |r,wU:23.26,wD:16.17,1.0,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.5,)| Show InChI InChI=1S/C28H33N5O2/c1-18-17-32(23-7-5-19(16-29)6-8-23)9-10-33(18)25-4-2-3-24(30-25)27(34)31-26-21-11-20-12-22(26)15-28(35,13-20)14-21/h2-8,18,20-22,26,35H,9-15,17H2,1H3,(H,31,34)/t18-,20?,21?,22?,26-,28-/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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066873
(CHEMBL3401669)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.7,2.03,;-18.88,3.25,;-19.66,1.26,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31N5O4/c32-25(28-24-18-12-17-13-19(24)16-26(33,14-17)15-18)22-2-1-3-23(27-22)30-10-8-29(9-11-30)20-4-6-21(7-5-20)31(34)35/h1-7,17-19,24,33H,8-16H2,(H,28,32)/t17?,18?,19?,24-,26- | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066880
(CHEMBL3401662)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)C1CCN(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C28H32N4O2/c29-17-18-4-6-23(7-5-18)32-10-8-20(9-11-32)24-2-1-3-25(30-24)27(33)31-26-21-12-19-13-22(26)16-28(34,14-19)15-21/h1-7,19-22,26,34H,8-16H2,(H,31,33)/t19?,21?,22?,26-,28- | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066885
(CHEMBL3401674)Show SMILES NC(=O)c1ccc(cc1F)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:32.36,wD:25.27,TLB:29:28:35:31.30.25,29:30:34.28.27:35,25:26:34:31.29.30,THB:25:30:34:27.26.35,24:25:34.28.27:35,(-19.66,1.27,;-18.69,2.04,;-18.87,3.26,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-18,-.82,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H32FN5O3/c28-21-12-19(4-5-20(21)25(29)34)32-6-8-33(9-7-32)23-3-1-2-22(30-23)26(35)31-24-17-10-16-11-18(24)15-27(36,13-16)14-17/h1-5,12,16-18,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)/t16?,17?,18?,24-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066883
(CHEMBL3401659)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cn1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H30N6O2/c27-15-17-4-5-22(28-16-17)31-6-8-32(9-7-31)23-3-1-2-21(29-23)25(33)30-24-19-10-18-11-20(24)14-26(34,12-18)13-19/h1-5,16,18-20,24,34H,6-14H2,(H,30,33)/t18?,19?,20?,24-,26- | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066886
(CHEMBL3401675)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1Cl)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;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,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-13.66,2.63,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C27H30ClN5O2/c28-21-12-17(16-29)4-5-23(21)32-6-8-33(9-7-32)24-3-1-2-22(30-24)26(34)31-25-19-10-18-11-20(25)15-27(35,13-18)14-19/h1-5,12,18-20,25,35H,6-11,13-15H2,(H,31,34)/t18?,19?,20?,25-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066891
(CHEMBL3401680)Show SMILES COc1ccc(cc1)N1CCN([C@@H](C)C1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,wD:24.26,12.13,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.86,3.27,;-18.69,2.05,;-17.26,1.48,;-17.03,-.04,;-15.6,-.61,;-14.4,.34,;-14.62,1.86,;-16.05,2.43,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-10.32,.16,;-9.36,.93,;-11.76,.73,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C28H36N4O3/c1-18-17-31(22-6-8-23(35-2)9-7-22)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066874
(CHEMBL3401668)Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:30.34,wD:23.25,TLB:27:26:33:29.28.23,27:28:32.26.25:33,23:24:32:29.27.28,THB:23:28:32:25.24.33,22:23:32.26.25:33,(-19.66,1.26,;-18.7,2.03,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-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,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O3/c1-34-22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27- | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
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