Found 44 hits of Enzyme Inhibition Constant Data 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)) | BDBM167443
(US9073906, 128)Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:21:22:24:29.30.31,21:22:29.28.31:24.25.26,32:29:24:22.27.26,THB:30:29:22:24.25.26,30:25:22:29.28.31,28:29:24:22.27.26,28:27:24:29.30.31,(.07,1.54,;-1.26,.77,;-2.6,1.54,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167438
(US9073906, 88)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.33.8:6.5.32,1:3:9:6.5.32,THB:33:3:6:9.31.32,33:31:6:3.4.8,4:3:9:6.5.32,4:5:9:3.33.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-6.37,-.82,;-6.37,.72,;-7.71,-1.59,;-7.71,-3.13,;-9.04,-3.9,;-6.37,-3.9,;-5.04,-3.13,;-3.71,-3.9,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)| Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167440
(US9073906, 122)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:1:3:6:9.32.33,10:9:6:3.4.8,10:9:3.34.8:6.5.33,THB:4:3:9:6.5.33,4:5:9:3.34.8,34:3:6:9.32.33,34:32:6:3.4.8,(9.32,3.3,;8.55,1.97,;9.32,.63,;7.01,1.97,;6.61,3.45,;5.13,3.85,;4.04,2.77,;4.44,1.28,;5.93,.88,;4.12,-.77,;2.79,-1.54,;1.46,-.77,;1.46,.77,;.12,-1.54,;-1.21,-.77,;-.87,.73,;-1.83,1.93,;-3.37,1.93,;-4.33,.73,;-3.99,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-7.99,-1.54,;-7.99,-3.08,;-9.32,-3.85,;-6.65,-3.85,;-5.32,-3.08,;-3.99,-3.85,;-2.6,-1.44,;-3.37,-2.77,;-1.83,-2.77,;5.31,.21,;4.7,2.53,;6.64,-.13,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167441
(US9073906, 123)Show SMILES CN(CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl |TLB:5:6:8:13.14.15,5:6:13.12.15:8.9.10,16:13:8:6.11.10,THB:14:13:6:8.9.10,14:9:6:13.12.15,12:13:8:6.11.10,12:11:8:13.14.15,(-1.26,.77,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-3.93,-.77,;-3.93,.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,)| Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167444
(US9073906, 156)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167451
(US9073906, 196)Show SMILES C[C@@H]1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |r,wD:1.0,TLB:18:15:10:13.12.8,7:8:10:15.16.17,7:8:15.14.17:10.11.12,THB:18:15:10.11.12:8,16:15:10.11.12:8,16:11:15.14.17:8,14:15:10:13.12.8,14:13:10:15.16.17,(-2,3.49,;-2,1.95,;-.67,1.18,;-.67,-.36,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;5.12,1.07,;4.35,2.4,;5.12,3.73,;5.25,1.73,;6.04,.43,;7.42,.77,;7.43,2.4,;6.66,3.73,;6.66,1.07,;8.51,3.49,;10,3.09,;8.12,4.98,;-2,-1.13,;-2.77,-2.46,;-1.23,-2.46,;-3.33,-.36,;-3.33,1.18,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-7.34,-1.13,;-7.34,-2.67,;-6,-3.44,;-4.67,-2.67,;-3.33,-3.44,;-8.67,-3.44,;-10,-2.67,;-8.67,-4.98,;-10,-4.21,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12-,13?,14?,15?,20?,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167437
(US9073906, 69)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4cccc(F)c4)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.31.8:6.5.30,1:3:9:6.5.30,THB:31:3:6:9.29.30,31:29:6:3.4.8,4:3:9:6.5.30,4:5:9:3.31.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-5.04,-3.13,;-6.37,-3.9,;-7.71,-3.13,;-7.71,-1.59,;-9.04,-.82,;-6.37,-.82,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)| Show InChI InChI=1S/C22H29FN4O4S/c23-17-3-1-4-18(9-17)27-6-2-5-26(32(27,30)31)13-19(28)25-20-15-7-14-8-16(20)12-22(10-14,11-15)21(24)29/h1,3-4,9,14-16,20H,2,5-8,10-13H2,(H2,24,29)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167449
(US9073906, 183)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2C[C@@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |r,wD:15.20,TLB:7:8:12:15.16.14,7:8:15.17.14:12.11.10,17:15:12:9.10.8,THB:18:15:12:9.10.8,18:15:12.11.10:8,16:15:12.11.10:8,16:11:15.17.14:8,17:9:12:15.16.14,(-2,3.49,;-2,1.95,;-.67,1.18,;-.67,-.36,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;6.04,.43,;5.25,1.73,;5.12,3.73,;4.35,2.4,;5.12,1.07,;6.66,1.07,;7.43,2.4,;6.66,3.73,;7.42,.77,;8.51,3.49,;10,3.09,;8.12,4.98,;-2,-1.13,;-2.77,-2.46,;-1.23,-2.46,;-3.33,-.36,;-3.33,1.18,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-7.34,-1.13,;-7.34,-2.67,;-6,-3.44,;-4.67,-2.67,;-3.33,-3.44,;-8.67,-3.44,;-10,-2.67,;-8.67,-4.98,;-10,-4.21,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12?,13?,14?,15?,20?,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167447
(US9073906, 176)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC4(CC4)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.35.8:6.5.34,1:3:6:33.34.9,THB:1:3:6.5.34:9,4:3:6.5.34:9,4:5:3.35.8:9,35:3:6:33.34.9,35:33:6:3.4.8,(9.34,2.32,;7.85,2.72,;7.45,4.21,;6.76,1.63,;5.99,2.96,;4.45,2.96,;3.68,1.63,;4.45,.3,;5.99,.3,;4,-1.13,;2.67,-1.9,;1.33,-1.13,;1.33,.41,;,-1.9,;-1.33,-1.13,;-1.33,.41,;-2.67,1.18,;-1.9,2.52,;-3.44,2.52,;-4,.41,;-4,-1.13,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;5.37,-.34,;4.58,.96,;6.76,0,)| Show InChI InChI=1S/C24H29Cl3N4O4S/c25-16-5-17(26)21(18(27)6-16)31-12-23(1-2-23)11-30(36(31,34)35)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,1-4,7-12H2,(H2,28,33)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167448
(US9073906, 177)Show SMILES CC1(C)CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:8:9:11:16.17.18,8:9:16.15.18:11.12.13,19:16:11:14.13.9,THB:19:16:11.12.13:9,17:16:11.12.13:9,17:12:16.15.18:9,15:16:11:14.13.9,15:14:11:16.17.18,(-1.9,2.52,;-2.67,1.18,;-3.44,2.52,;-1.33,.41,;-1.33,-1.13,;,-1.9,;1.33,-1.13,;1.33,.41,;2.67,-1.9,;4,-1.13,;4.45,.3,;3.68,1.63,;4.45,2.96,;4.58,.96,;5.37,-.34,;6.76,0,;6.76,1.63,;5.99,2.96,;5.99,.3,;7.85,2.72,;9.34,2.32,;7.45,4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;-4,-1.13,;-4,.41,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,)| Show InChI InChI=1S/C24H31Cl3N4O4S/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384529
(CHEMBL2036424 | US9073906, 2)Show SMILES O=C(CN1CCCN(c2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:17:18:22.23.25:27,18:19:22:25.26.27,18:26:22:20.24.19,(20.37,-7.6,;20.37,-9.14,;19.03,-9.91,;17.7,-9.13,;17.7,-7.58,;16.36,-6.8,;15.03,-7.58,;15.03,-9.13,;13.69,-9.9,;12.36,-9.14,;11.03,-9.91,;11.03,-11.46,;12.37,-12.22,;13.69,-11.44,;16.36,-9.89,;17.12,-11.23,;15.58,-11.23,;21.7,-9.92,;21.69,-11.46,;23.07,-12.13,;22.77,-13.54,;21.76,-14.52,;22.39,-16.15,;22.66,-14.62,;23.78,-13.59,;21.23,-13.94,;20.57,-12.46,;20.42,-13.89,)| Show InChI InChI=1S/C21H29N3O3S/c25-20(22-21-17-10-15-9-16(12-17)13-18(21)11-15)14-23-7-4-8-24(28(23,26)27)19-5-2-1-3-6-19/h1-3,5-6,15-18,21H,4,7-14H2,(H,22,25) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167435
(US9073906, 59)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.31.8:6.5.30,1:3:9:6.5.30,THB:31:3:6:9.29.30,31:29:6:3.4.8,4:3:9:6.5.30,4:5:9:3.31.8,(8.38,3.66,;7.61,2.32,;8.38,.99,;6.07,2.32,;5.45,3.73,;3.92,3.9,;3.01,2.66,;3.63,1.25,;5.16,1.08,;3.63,-.82,;2.29,-1.59,;.96,-.82,;.96,.72,;-.37,-1.59,;-1.71,-.82,;-1.71,.72,;-3.04,1.49,;-4.37,.72,;-4.37,-.82,;-5.71,-1.59,;-5.71,-3.13,;-7.04,-3.9,;-8.38,-3.13,;-8.38,-1.59,;-7.04,-.82,;-7.04,.72,;-3.04,-1.59,;-2.27,-2.93,;-3.81,-2.93,;4.65,.33,;3.7,2.53,;6.02,.2,)| Show InChI InChI=1S/C22H29FN4O4S/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167446
(US9073906, 175)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.34.8:6.5.33,1:3:6:32.33.9,THB:1:3:6.5.33:9,4:3:6.5.33:9,4:5:3.34.8:9,34:3:6:32.33.9,34:32:6:3.4.8,(9.34,2.32,;7.85,2.72,;7.45,4.21,;6.76,1.63,;5.99,2.96,;4.45,2.96,;3.68,1.63,;4.45,.3,;5.99,.3,;4,-1.13,;2.67,-1.9,;1.33,-1.13,;1.33,.41,;,-1.9,;-1.33,-1.13,;-1.33,.41,;-2.67,1.18,;-2.67,2.72,;-4,.41,;-4,-1.13,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;5.37,-.34,;4.58,.96,;6.76,0,)| Show InChI InChI=1S/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167436
(US9073906, 60)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.30.8:6.5.29,1:3:9:6.5.29,THB:30:3:6:9.28.29,30:28:6:3.4.8,4:3:9:6.5.29,4:5:9:3.30.8,(8.38,3.66,;7.61,2.32,;8.38,.99,;6.07,2.32,;5.45,3.73,;3.92,3.9,;3.01,2.66,;3.63,1.25,;5.16,1.08,;3.63,-.82,;2.29,-1.59,;.96,-.82,;.96,.72,;-.37,-1.59,;-1.71,-.82,;-1.71,.72,;-3.04,1.49,;-4.37,.72,;-4.37,-.82,;-5.71,-1.59,;-7.04,-.82,;-8.38,-1.59,;-8.38,-3.13,;-7.04,-3.9,;-5.71,-3.13,;-3.04,-1.59,;-2.27,-2.93,;-3.81,-2.93,;4.65,.33,;3.7,2.53,;6.02,.2,)| Show InChI InChI=1S/C22H30N4O4S/c23-21(28)22-11-15-9-16(12-22)20(17(10-15)13-22)24-19(27)14-25-7-4-8-26(31(25,29)30)18-5-2-1-3-6-18/h1-3,5-6,15-17,20H,4,7-14H2,(H2,23,28)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167439
(US9073906, 89)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(F)cc(F)cc4F)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.33.8:6.5.32,1:3:6:9.31.32,THB:4:3:9:6.5.32,4:5:9:3.33.8,33:3:6:9.31.32,33:31:6:3.4.8,(9.27,3.3,;8.5,1.97,;9.27,.63,;6.96,1.97,;6.56,3.45,;5.08,3.85,;3.99,2.77,;4.39,1.28,;5.87,.88,;4.07,-.77,;2.74,-1.54,;1.4,-.77,;1.4,.77,;.07,-1.54,;-1.26,-.77,;-1.26,.77,;-2.6,1.54,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;5.25,.21,;4.65,2.53,;6.59,-.13,)| Show InChI InChI=1S/C22H27F3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167434
(US9073906, 44)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccc(F)cc4)S1(=O)=O)C(C3)C2 |TLB:6:5:31:9.7.8,6:7:31:5.4.30,THB:10:9:31:5.4.30,10:9:5.6.30:31.3.8,4:5:9:31.3.8,4:3:9:5.6.30,(6.04,5.23,;5.13,3.99,;3.6,4.16,;5.74,2.58,;7.27,2.41,;7.89,1,;7.84,-1.13,;6.47,-1,;5.52,1.21,;5.45,-2.15,;4.12,-2.92,;2.78,-2.15,;2.78,-.61,;1.45,-2.92,;.11,-2.15,;.11,-.61,;-1.22,.16,;-2.55,-.61,;-2.55,-2.15,;-3.89,-2.92,;-5.22,-2.15,;-6.55,-2.92,;-6.55,-4.46,;-7.89,-5.23,;-5.22,-5.23,;-3.89,-4.46,;-1.22,-2.92,;-.45,-4.25,;-1.99,-4.25,;5.45,-.07,;6.98,-.24,;4.83,1.34,)| Show InChI InChI=1S/C22H29FN4O4S/c23-17-2-4-18(5-3-17)27-7-1-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h2-5,14-16,20H,1,6-13H2,(H2,24,29)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167442
(US9073906, 124)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.32.8:6.5.31,1:3:6:9.30.31,THB:4:3:9:6.5.31,4:5:9:3.32.8,32:3:6:9.30.31,32:30:6:3.4.8,(9.27,3.3,;8.5,1.97,;9.27,.63,;6.96,1.97,;6.56,3.45,;5.08,3.85,;3.99,2.77,;4.39,1.28,;5.87,.88,;4.07,-.77,;2.74,-1.54,;1.4,-.77,;1.4,.77,;.07,-1.54,;-1.26,-.77,;-1.26,.77,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;5.25,.21,;4.65,2.53,;6.59,-.13,)| Show InChI InChI=1S/C21H25Cl3N4O4S/c22-14-5-15(23)19(16(24)6-14)28-2-1-27(33(28,31)32)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,1-4,7-10H2,(H2,25,30)(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384527
(CHEMBL2036422 | US9073906, 5)Show SMILES O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3 |TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:18:19:23.24.26:28,19:20:23:26.27.28,19:27:23:21.25.20,(18.52,2.99,;18.52,1.45,;17.18,.69,;15.85,1.46,;15.85,3.01,;14.51,3.8,;13.18,3.01,;13.18,1.46,;11.84,.69,;10.51,1.46,;10.51,3,;9.18,3.76,;7.84,2.99,;7.85,1.44,;9.19,.68,;14.51,.7,;15.27,-.64,;13.73,-.63,;19.85,.68,;19.84,-.86,;21.22,-1.53,;20.92,-2.95,;19.91,-3.93,;20.54,-5.56,;20.81,-4.02,;21.93,-3,;19.38,-3.35,;18.72,-1.87,;18.56,-3.29,)| Show InChI InChI=1S/C22H31N3O3S/c26-21(23-22-19-10-17-9-18(12-19)13-20(22)11-17)15-25-8-4-7-24(29(25,27)28)14-16-5-2-1-3-6-16/h1-3,5-6,17-20,22H,4,7-15H2,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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UniChem
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| US Patent
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384526
(CHEMBL2036421 | US9073906, 3)Show SMILES CC(C)(C)OC(=O)N1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:15:16:20.21.23:25,16:17:20:23.24.25,16:24:20:18.22.17,(-8.64,4.98,;-7.31,4.21,;-5.97,4.98,;-7.32,5.76,;-7.3,2.67,;-5.97,1.9,;-5.97,.36,;-4.64,2.68,;-4.64,4.22,;-3.3,5.01,;-1.96,4.22,;-1.96,2.68,;-.63,1.9,;.71,2.67,;.71,4.21,;2.04,1.89,;2.03,.35,;3.4,-.32,;3.11,-1.74,;2.1,-2.71,;2.73,-4.35,;3,-2.81,;4.12,-1.79,;1.57,-2.14,;.9,-.66,;.75,-2.08,;-3.31,1.91,;-2.54,.58,;-4.08,.58,)| Show InChI InChI=1S/C20H33N3O5S/c1-20(2,3)28-19(25)23-6-4-5-22(29(23,26)27)12-17(24)21-18-15-8-13-7-14(10-15)11-16(18)9-13/h13-16,18H,4-12H2,1-3H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167432
(US9073906, 14)Show SMILES Fc1ccccc1CN1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:16:17:19:22.21.23,THB:16:17:22.24.23:19.20.26,21:22:17:19.20.26,21:20:17:22.24.23,24:22:19:17.25.26,24:25:19:22.21.23,(-6.47,-3.52,;-6.47,-1.98,;-7.81,-1.21,;-7.81,.33,;-6.47,1.1,;-5.14,.33,;-5.14,-1.21,;-3.8,-1.98,;-2.47,-1.21,;-2.47,.33,;-1.14,1.1,;.2,.33,;.2,-1.21,;1.53,-1.98,;2.86,-1.21,;2.86,.33,;4.2,-1.98,;5.53,-1.21,;5.32,.85,;4.56,2.19,;5.34,3.52,;6.88,3.51,;7.64,2.17,;6.86,.84,;7.81,.05,;6.43,.04,;5.26,2.13,;-1.14,-1.98,;-1.14,-3.52,;-2.47,-2.75,)| Show InChI InChI=1S/C22H30FN3O3S/c23-20-5-2-1-4-17(20)13-25-6-3-7-26(30(25,28)29)14-21(27)24-22-18-9-15-8-16(11-18)12-19(22)10-15/h1-2,4-5,15-16,18-19,22H,3,6-14H2,(H,24,27) | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
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| US Patent
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167433
(US9073906, 24)Show SMILES Cc1ccc(cc1)N1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:15:16:18:21.20.22,THB:20:21:16:18.19.25,20:19:16:21.23.22,23:21:18:16.24.25,23:24:18:21.20.22,15:16:21.23.22:18.19.25,(-7.89,-3.9,;-6.55,-3.13,;-6.55,-1.59,;-5.22,-.82,;-3.89,-1.59,;-3.89,-3.13,;-5.22,-3.9,;-2.55,-.82,;-2.55,.72,;-1.22,1.49,;.11,.72,;.11,-.82,;1.45,-1.59,;2.78,-.82,;2.78,.72,;4.12,-1.59,;5.45,-.82,;5.45,1.25,;4.83,2.66,;5.74,3.9,;7.27,3.73,;7.89,2.32,;6.98,1.08,;7.84,.2,;6.47,.33,;5.52,2.53,;-1.22,-1.59,;-.45,-2.93,;-1.99,-2.93,)| Show InChI InChI=1S/C22H31N3O3S/c1-15-3-5-20(6-4-15)25-8-2-7-24(29(25,27)28)14-21(26)23-22-18-10-16-9-17(12-18)13-19(22)11-16/h3-6,16-19,22H,2,7-14H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
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| PC cid
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| n/a | n/a | 3.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50384529
(CHEMBL2036424 | US9073906, 2)Show SMILES O=C(CN1CCCN(c2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:17:18:22.23.25:27,18:19:22:25.26.27,18:26:22:20.24.19,(20.37,-7.6,;20.37,-9.14,;19.03,-9.91,;17.7,-9.13,;17.7,-7.58,;16.36,-6.8,;15.03,-7.58,;15.03,-9.13,;13.69,-9.9,;12.36,-9.14,;11.03,-9.91,;11.03,-11.46,;12.37,-12.22,;13.69,-11.44,;16.36,-9.89,;17.12,-11.23,;15.58,-11.23,;21.7,-9.92,;21.69,-11.46,;23.07,-12.13,;22.77,-13.54,;21.76,-14.52,;22.39,-16.15,;22.66,-14.62,;23.78,-13.59,;21.23,-13.94,;20.57,-12.46,;20.42,-13.89,)| Show InChI InChI=1S/C21H29N3O3S/c25-20(22-21-17-10-15-9-16(12-17)13-18(21)11-15)14-23-7-4-8-24(28(23,26)27)19-5-2-1-3-6-19/h1-3,5-6,15-18,21H,4,7-14H2,(H,22,25) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167442
(US9073906, 124)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.32.8:6.5.31,1:3:6:9.30.31,THB:4:3:9:6.5.31,4:5:9:3.32.8,32:3:6:9.30.31,32:30:6:3.4.8,(9.27,3.3,;8.5,1.97,;9.27,.63,;6.96,1.97,;6.56,3.45,;5.08,3.85,;3.99,2.77,;4.39,1.28,;5.87,.88,;4.07,-.77,;2.74,-1.54,;1.4,-.77,;1.4,.77,;.07,-1.54,;-1.26,-.77,;-1.26,.77,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;5.25,.21,;4.65,2.53,;6.59,-.13,)| Show InChI InChI=1S/C21H25Cl3N4O4S/c22-14-5-15(23)19(16(24)6-14)28-2-1-27(33(28,31)32)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,1-4,7-10H2,(H2,25,30)(H,26,29) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167440
(US9073906, 122)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:1:3:6:9.32.33,10:9:6:3.4.8,10:9:3.34.8:6.5.33,THB:4:3:9:6.5.33,4:5:9:3.34.8,34:3:6:9.32.33,34:32:6:3.4.8,(9.32,3.3,;8.55,1.97,;9.32,.63,;7.01,1.97,;6.61,3.45,;5.13,3.85,;4.04,2.77,;4.44,1.28,;5.93,.88,;4.12,-.77,;2.79,-1.54,;1.46,-.77,;1.46,.77,;.12,-1.54,;-1.21,-.77,;-.87,.73,;-1.83,1.93,;-3.37,1.93,;-4.33,.73,;-3.99,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-7.99,-1.54,;-7.99,-3.08,;-9.32,-3.85,;-6.65,-3.85,;-5.32,-3.08,;-3.99,-3.85,;-2.6,-1.44,;-3.37,-2.77,;-1.83,-2.77,;5.31,.21,;4.7,2.53,;6.64,-.13,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167444
(US9073906, 156)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167451
(US9073906, 196)Show SMILES C[C@@H]1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |r,wD:1.0,TLB:18:15:10:13.12.8,7:8:10:15.16.17,7:8:15.14.17:10.11.12,THB:18:15:10.11.12:8,16:15:10.11.12:8,16:11:15.14.17:8,14:15:10:13.12.8,14:13:10:15.16.17,(-2,3.49,;-2,1.95,;-.67,1.18,;-.67,-.36,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;5.12,1.07,;4.35,2.4,;5.12,3.73,;5.25,1.73,;6.04,.43,;7.42,.77,;7.43,2.4,;6.66,3.73,;6.66,1.07,;8.51,3.49,;10,3.09,;8.12,4.98,;-2,-1.13,;-2.77,-2.46,;-1.23,-2.46,;-3.33,-.36,;-3.33,1.18,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-7.34,-1.13,;-7.34,-2.67,;-6,-3.44,;-4.67,-2.67,;-3.33,-3.44,;-8.67,-3.44,;-10,-2.67,;-8.67,-4.98,;-10,-4.21,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12-,13?,14?,15?,20?,23?/m1/s1 | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167433
(US9073906, 24)Show SMILES Cc1ccc(cc1)N1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:15:16:18:21.20.22,THB:20:21:16:18.19.25,20:19:16:21.23.22,23:21:18:16.24.25,23:24:18:21.20.22,15:16:21.23.22:18.19.25,(-7.89,-3.9,;-6.55,-3.13,;-6.55,-1.59,;-5.22,-.82,;-3.89,-1.59,;-3.89,-3.13,;-5.22,-3.9,;-2.55,-.82,;-2.55,.72,;-1.22,1.49,;.11,.72,;.11,-.82,;1.45,-1.59,;2.78,-.82,;2.78,.72,;4.12,-1.59,;5.45,-.82,;5.45,1.25,;4.83,2.66,;5.74,3.9,;7.27,3.73,;7.89,2.32,;6.98,1.08,;7.84,.2,;6.47,.33,;5.52,2.53,;-1.22,-1.59,;-.45,-2.93,;-1.99,-2.93,)| Show InChI InChI=1S/C22H31N3O3S/c1-15-3-5-20(6-4-15)25-8-2-7-24(29(25,27)28)14-21(26)23-22-18-10-16-9-17(12-18)13-19(22)11-16/h3-6,16-19,22H,2,7-14H2,1H3,(H,23,26) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50384527
(CHEMBL2036422 | US9073906, 5)Show SMILES O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3 |TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:18:19:23.24.26:28,19:20:23:26.27.28,19:27:23:21.25.20,(18.52,2.99,;18.52,1.45,;17.18,.69,;15.85,1.46,;15.85,3.01,;14.51,3.8,;13.18,3.01,;13.18,1.46,;11.84,.69,;10.51,1.46,;10.51,3,;9.18,3.76,;7.84,2.99,;7.85,1.44,;9.19,.68,;14.51,.7,;15.27,-.64,;13.73,-.63,;19.85,.68,;19.84,-.86,;21.22,-1.53,;20.92,-2.95,;19.91,-3.93,;20.54,-5.56,;20.81,-4.02,;21.93,-3,;19.38,-3.35,;18.72,-1.87,;18.56,-3.29,)| Show InChI InChI=1S/C22H31N3O3S/c26-21(23-22-19-10-17-9-18(12-19)13-20(22)11-17)15-25-8-4-7-24(29(25,27)28)14-16-5-2-1-3-6-16/h1-3,5-6,17-20,22H,4,7-15H2,(H,23,26) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50384526
(CHEMBL2036421 | US9073906, 3)Show SMILES CC(C)(C)OC(=O)N1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:15:16:20.21.23:25,16:17:20:23.24.25,16:24:20:18.22.17,(-8.64,4.98,;-7.31,4.21,;-5.97,4.98,;-7.32,5.76,;-7.3,2.67,;-5.97,1.9,;-5.97,.36,;-4.64,2.68,;-4.64,4.22,;-3.3,5.01,;-1.96,4.22,;-1.96,2.68,;-.63,1.9,;.71,2.67,;.71,4.21,;2.04,1.89,;2.03,.35,;3.4,-.32,;3.11,-1.74,;2.1,-2.71,;2.73,-4.35,;3,-2.81,;4.12,-1.79,;1.57,-2.14,;.9,-.66,;.75,-2.08,;-3.31,1.91,;-2.54,.58,;-4.08,.58,)| Show InChI InChI=1S/C20H33N3O5S/c1-20(2,3)28-19(25)23-6-4-5-22(29(23,26)27)12-17(24)21-18-15-8-13-7-14(10-15)11-16(18)9-13/h13-16,18H,4-12H2,1-3H3,(H,21,24) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167450
(US9073906, 195)Show SMILES C[C@H]1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |r,wU:1.0,TLB:18:15:10:13.12.8,7:8:10:15.16.17,7:8:15.14.17:10.11.12,THB:18:15:10.11.12:8,14:15:10:13.12.8,14:13:10:15.16.17,16:15:10.11.12:8,16:11:15.14.17:8,(-2,3.49,;-2,1.95,;-.66,1.18,;-.66,-.36,;.67,-1.13,;2,-.36,;2,1.18,;3.34,-1.13,;4.67,-.36,;5.12,1.07,;4.35,2.4,;5.12,3.73,;5.25,1.73,;6.04,.43,;7.42,.78,;7.42,2.4,;6.65,3.73,;6.66,1.07,;8.51,3.49,;10,3.09,;8.11,4.98,;-2,-1.13,;-2.77,-2.46,;-1.23,-2.46,;-3.33,-.36,;-3.33,1.18,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-7.33,-1.13,;-7.33,-2.67,;-6,-3.44,;-4.67,-2.67,;-3.33,-3.44,;-8.67,-3.44,;-10,-2.67,;-8.67,-4.98,;-10,-4.21,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12-,13?,14?,15?,20?,23?/m0/s1 | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167445
(US9073906, 172)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(F)(F)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.35.8:6.5.34,1:3:6:33.34.9,THB:1:3:6.5.34:9,4:3:6.5.34:9,4:5:3.35.8:9,35:3:6:33.34.9,35:33:6:3.4.8,(9.34,2.32,;7.85,2.72,;7.45,4.21,;6.76,1.63,;5.99,2.96,;4.45,2.96,;3.68,1.63,;4.45,.3,;5.99,.3,;4,-1.13,;2.67,-1.9,;1.33,-1.13,;1.33,.41,;,-1.9,;-1.33,-1.13,;-1.33,.41,;-2.67,1.18,;-1.9,2.52,;-3.44,2.52,;-4,.41,;-4,-1.13,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;5.37,-.34,;4.58,.96,;6.76,0,)| Show InChI InChI=1S/C22H25Cl3F2N4O4S/c23-14-3-15(24)19(16(25)4-14)31-10-22(26,27)9-30(36(31,34)35)8-17(32)29-18-12-1-11-2-13(18)7-21(5-11,6-12)20(28)33/h3-4,11-13,18H,1-2,5-10H2,(H2,28,33)(H,29,32) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167446
(US9073906, 175)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.34.8:6.5.33,1:3:6:32.33.9,THB:1:3:6.5.33:9,4:3:6.5.33:9,4:5:3.34.8:9,34:3:6:32.33.9,34:32:6:3.4.8,(9.34,2.32,;7.85,2.72,;7.45,4.21,;6.76,1.63,;5.99,2.96,;4.45,2.96,;3.68,1.63,;4.45,.3,;5.99,.3,;4,-1.13,;2.67,-1.9,;1.33,-1.13,;1.33,.41,;,-1.9,;-1.33,-1.13,;-1.33,.41,;-2.67,1.18,;-2.67,2.72,;-4,.41,;-4,-1.13,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;5.37,-.34,;4.58,.96,;6.76,0,)| Show InChI InChI=1S/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167437
(US9073906, 69)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4cccc(F)c4)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.31.8:6.5.30,1:3:9:6.5.30,THB:31:3:6:9.29.30,31:29:6:3.4.8,4:3:9:6.5.30,4:5:9:3.31.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-5.04,-3.13,;-6.37,-3.9,;-7.71,-3.13,;-7.71,-1.59,;-9.04,-.82,;-6.37,-.82,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)| Show InChI InChI=1S/C22H29FN4O4S/c23-17-3-1-4-18(9-17)27-6-2-5-26(32(27,30)31)13-19(28)25-20-15-7-14-8-16(20)12-22(10-14,11-15)21(24)29/h1,3-4,9,14-16,20H,2,5-8,10-13H2,(H2,24,29)(H,25,28) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167432
(US9073906, 14)Show SMILES Fc1ccccc1CN1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:16:17:19:22.21.23,THB:16:17:22.24.23:19.20.26,21:22:17:19.20.26,21:20:17:22.24.23,24:22:19:17.25.26,24:25:19:22.21.23,(-6.47,-3.52,;-6.47,-1.98,;-7.81,-1.21,;-7.81,.33,;-6.47,1.1,;-5.14,.33,;-5.14,-1.21,;-3.8,-1.98,;-2.47,-1.21,;-2.47,.33,;-1.14,1.1,;.2,.33,;.2,-1.21,;1.53,-1.98,;2.86,-1.21,;2.86,.33,;4.2,-1.98,;5.53,-1.21,;5.32,.85,;4.56,2.19,;5.34,3.52,;6.88,3.51,;7.64,2.17,;6.86,.84,;7.81,.05,;6.43,.04,;5.26,2.13,;-1.14,-1.98,;-1.14,-3.52,;-2.47,-2.75,)| Show InChI InChI=1S/C22H30FN3O3S/c23-20-5-2-1-4-17(20)13-25-6-3-7-26(30(25,28)29)14-21(27)24-22-18-9-15-8-16(11-18)12-19(22)10-15/h1-2,4-5,15-16,18-19,22H,3,6-14H2,(H,24,27) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167436
(US9073906, 60)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.30.8:6.5.29,1:3:9:6.5.29,THB:30:3:6:9.28.29,30:28:6:3.4.8,4:3:9:6.5.29,4:5:9:3.30.8,(8.38,3.66,;7.61,2.32,;8.38,.99,;6.07,2.32,;5.45,3.73,;3.92,3.9,;3.01,2.66,;3.63,1.25,;5.16,1.08,;3.63,-.82,;2.29,-1.59,;.96,-.82,;.96,.72,;-.37,-1.59,;-1.71,-.82,;-1.71,.72,;-3.04,1.49,;-4.37,.72,;-4.37,-.82,;-5.71,-1.59,;-7.04,-.82,;-8.38,-1.59,;-8.38,-3.13,;-7.04,-3.9,;-5.71,-3.13,;-3.04,-1.59,;-2.27,-2.93,;-3.81,-2.93,;4.65,.33,;3.7,2.53,;6.02,.2,)| Show InChI InChI=1S/C22H30N4O4S/c23-21(28)22-11-15-9-16(12-22)20(17(10-15)13-22)24-19(27)14-25-7-4-8-26(31(25,29)30)18-5-2-1-3-6-18/h1-3,5-6,15-17,20H,4,7-14H2,(H2,23,28)(H,24,27) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167447
(US9073906, 176)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC4(CC4)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.35.8:6.5.34,1:3:6:33.34.9,THB:1:3:6.5.34:9,4:3:6.5.34:9,4:5:3.35.8:9,35:3:6:33.34.9,35:33:6:3.4.8,(9.34,2.32,;7.85,2.72,;7.45,4.21,;6.76,1.63,;5.99,2.96,;4.45,2.96,;3.68,1.63,;4.45,.3,;5.99,.3,;4,-1.13,;2.67,-1.9,;1.33,-1.13,;1.33,.41,;,-1.9,;-1.33,-1.13,;-1.33,.41,;-2.67,1.18,;-1.9,2.52,;-3.44,2.52,;-4,.41,;-4,-1.13,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;5.37,-.34,;4.58,.96,;6.76,0,)| Show InChI InChI=1S/C24H29Cl3N4O4S/c25-16-5-17(26)21(18(27)6-16)31-12-23(1-2-23)11-30(36(31,34)35)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,1-4,7-12H2,(H2,28,33)(H,29,32) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167434
(US9073906, 44)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccc(F)cc4)S1(=O)=O)C(C3)C2 |TLB:6:5:31:9.7.8,6:7:31:5.4.30,THB:10:9:31:5.4.30,10:9:5.6.30:31.3.8,4:5:9:31.3.8,4:3:9:5.6.30,(6.04,5.23,;5.13,3.99,;3.6,4.16,;5.74,2.58,;7.27,2.41,;7.89,1,;7.84,-1.13,;6.47,-1,;5.52,1.21,;5.45,-2.15,;4.12,-2.92,;2.78,-2.15,;2.78,-.61,;1.45,-2.92,;.11,-2.15,;.11,-.61,;-1.22,.16,;-2.55,-.61,;-2.55,-2.15,;-3.89,-2.92,;-5.22,-2.15,;-6.55,-2.92,;-6.55,-4.46,;-7.89,-5.23,;-5.22,-5.23,;-3.89,-4.46,;-1.22,-2.92,;-.45,-4.25,;-1.99,-4.25,;5.45,-.07,;6.98,-.24,;4.83,1.34,)| Show InChI InChI=1S/C22H29FN4O4S/c23-17-2-4-18(5-3-17)27-7-1-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h2-5,14-16,20H,1,6-13H2,(H2,24,29)(H,25,28) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167435
(US9073906, 59)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.31.8:6.5.30,1:3:9:6.5.30,THB:31:3:6:9.29.30,31:29:6:3.4.8,4:3:9:6.5.30,4:5:9:3.31.8,(8.38,3.66,;7.61,2.32,;8.38,.99,;6.07,2.32,;5.45,3.73,;3.92,3.9,;3.01,2.66,;3.63,1.25,;5.16,1.08,;3.63,-.82,;2.29,-1.59,;.96,-.82,;.96,.72,;-.37,-1.59,;-1.71,-.82,;-1.71,.72,;-3.04,1.49,;-4.37,.72,;-4.37,-.82,;-5.71,-1.59,;-5.71,-3.13,;-7.04,-3.9,;-8.38,-3.13,;-8.38,-1.59,;-7.04,-.82,;-7.04,.72,;-3.04,-1.59,;-2.27,-2.93,;-3.81,-2.93,;4.65,.33,;3.7,2.53,;6.02,.2,)| Show InChI InChI=1S/C22H29FN4O4S/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167439
(US9073906, 89)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(F)cc(F)cc4F)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.33.8:6.5.32,1:3:6:9.31.32,THB:4:3:9:6.5.32,4:5:9:3.33.8,33:3:6:9.31.32,33:31:6:3.4.8,(9.27,3.3,;8.5,1.97,;9.27,.63,;6.96,1.97,;6.56,3.45,;5.08,3.85,;3.99,2.77,;4.39,1.28,;5.87,.88,;4.07,-.77,;2.74,-1.54,;1.4,-.77,;1.4,.77,;.07,-1.54,;-1.26,-.77,;-1.26,.77,;-2.6,1.54,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;5.25,.21,;4.65,2.53,;6.59,-.13,)| Show InChI InChI=1S/C22H27F3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30) | KEGG
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| PC cid
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167438
(US9073906, 88)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.33.8:6.5.32,1:3:9:6.5.32,THB:33:3:6:9.31.32,33:31:6:3.4.8,4:3:9:6.5.32,4:5:9:3.33.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-6.37,-.82,;-6.37,.72,;-7.71,-1.59,;-7.71,-3.13,;-9.04,-3.9,;-6.37,-3.9,;-5.04,-3.13,;-3.71,-3.9,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)| Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30) | KEGG
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| PC cid
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167448
(US9073906, 177)Show SMILES CC1(C)CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:8:9:11:16.17.18,8:9:16.15.18:11.12.13,19:16:11:14.13.9,THB:19:16:11.12.13:9,17:16:11.12.13:9,17:12:16.15.18:9,15:16:11:14.13.9,15:14:11:16.17.18,(-1.9,2.52,;-2.67,1.18,;-3.44,2.52,;-1.33,.41,;-1.33,-1.13,;,-1.9,;1.33,-1.13,;1.33,.41,;2.67,-1.9,;4,-1.13,;4.45,.3,;3.68,1.63,;4.45,2.96,;4.58,.96,;5.37,-.34,;6.76,0,;6.76,1.63,;5.99,2.96,;5.99,.3,;7.85,2.72,;9.34,2.32,;7.45,4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;-4,-1.13,;-4,.41,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,)| Show InChI InChI=1S/C24H31Cl3N4O4S/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167449
(US9073906, 183)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2C[C@@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |r,wD:15.20,TLB:7:8:12:15.16.14,7:8:15.17.14:12.11.10,17:15:12:9.10.8,THB:18:15:12:9.10.8,18:15:12.11.10:8,16:15:12.11.10:8,16:11:15.17.14:8,17:9:12:15.16.14,(-2,3.49,;-2,1.95,;-.67,1.18,;-.67,-.36,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;6.04,.43,;5.25,1.73,;5.12,3.73,;4.35,2.4,;5.12,1.07,;6.66,1.07,;7.43,2.4,;6.66,3.73,;7.42,.77,;8.51,3.49,;10,3.09,;8.12,4.98,;-2,-1.13,;-2.77,-2.46,;-1.23,-2.46,;-3.33,-.36,;-3.33,1.18,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-7.34,-1.13,;-7.34,-2.67,;-6,-3.44,;-4.67,-2.67,;-3.33,-3.44,;-8.67,-3.44,;-10,-2.67,;-8.67,-4.98,;-10,-4.21,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12?,13?,14?,15?,20?,23- | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167441
(US9073906, 123)Show SMILES CN(CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl |TLB:5:6:8:13.14.15,5:6:13.12.15:8.9.10,16:13:8:6.11.10,THB:14:13:6:8.9.10,14:9:6:13.12.15,12:13:8:6.11.10,12:11:8:13.14.15,(-1.26,.77,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-3.93,-.77,;-3.93,.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,)| Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29) | KEGG
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM167443
(US9073906, 128)Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:21:22:24:29.30.31,21:22:29.28.31:24.25.26,32:29:24:22.27.26,THB:30:29:22:24.25.26,30:25:22:29.28.31,28:29:24:22.27.26,28:27:24:29.30.31,(.07,1.54,;-1.26,.77,;-2.6,1.54,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31) | KEGG
UniProtKB/SwissProt
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
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