Found 71 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)) | BDBM50248471
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-7-11-27-12-8-19)13-14-29(17)33(31,32)20-5-3-18(4-6-20)21(2,30)23(24,25)26/h3-8,11-12,17,30H,9-10,13-16H2,1-2H3/t17-,21?/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248472
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-4-3-11-27-14-19)12-13-29(17)33(31,32)20-7-5-18(6-8-20)21(2,30)23(24,25)26/h3-8,11,14,17,30H,9-10,12-13,15-16H2,1-2H3/t17-,21?/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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248519
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C24H30F3N3O3S/c1-18-16-29(17-23(10-4-11-23)20-5-3-12-28-15-20)13-14-30(18)34(32,33)21-8-6-19(7-9-21)22(2,31)24(25,26)27/h3,5-9,12,15,18,31H,4,10-11,13-14,16-17H2,1-2H3/t18-,22?/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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248518
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C24H30F3N3O3S/c1-18-16-29(17-23(10-3-11-23)20-8-12-28-13-9-20)14-15-30(18)34(32,33)21-6-4-19(5-7-21)22(2,31)24(25,26)27/h4-9,12-13,18,31H,3,10-11,14-17H2,1-2H3/t18-,22?/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248521
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCCC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C25H32F3N3O3S/c1-19-17-30(18-24(11-3-4-12-24)21-6-5-13-29-16-21)14-15-31(19)35(33,34)22-9-7-20(8-10-22)23(2,32)25(26,27)28/h5-10,13,16,19,32H,3-4,11-12,14-15,17-18H2,1-2H3/t19-,23?/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248569
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248520
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C25H32F3N3O3S/c1-19-17-30(18-24(11-3-4-12-24)21-9-13-29-14-10-21)15-16-31(19)35(33,34)22-7-5-20(6-8-22)23(2,32)25(26,27)28/h5-10,13-14,19,32H,3-4,11-12,15-18H2,1-2H3/t19-,23?/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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248469
(2-(4-((R)-4-(2,2-difluoro-2-(pyridin-4-yl)ethyl)-2...)Show SMILES C[C@@H]1CN(CC(F)(F)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H24F5N3O3S/c1-15-13-28(14-20(22,23)17-7-9-27-10-8-17)11-12-29(15)33(31,32)18-5-3-16(4-6-18)19(2,30)21(24,25)26/h3-10,15,30H,11-14H2,1-2H3/t15-,19?/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248310
((R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(...)Show SMILES C[C@@H]1CN(CCCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C23H33N3O2S/c1-19-18-25(15-5-6-20-11-13-24-14-12-20)16-17-26(19)29(27,28)22-9-7-21(8-10-22)23(2,3)4/h7-14,19H,5-6,15-18H2,1-4H3/t19-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248470
(2-(4-((R)-4-(2,2-difluoro-2-(pyridin-3-yl)ethyl)-2...)Show SMILES C[C@@H]1CN(CC(F)(F)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H24F5N3O3S/c1-15-13-28(14-20(22,23)17-4-3-9-27-12-17)10-11-29(15)33(31,32)18-7-5-16(6-8-18)19(2,30)21(24,25)26/h3-9,12,15,30H,10-11,13-14H2,1-2H3/t15-,19?/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248568
(4-(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydro...)Show SMILES C[C@@H]1CN(CC2(CC2)c2ccc(cc2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C25H30F3N3O4S/c1-17-15-30(16-24(11-12-24)20-5-3-18(4-6-20)22(29)32)13-14-31(17)36(34,35)21-9-7-19(8-10-21)23(2,33)25(26,27)28/h3-10,17,33H,11-16H2,1-2H3,(H2,29,32)/t17-,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248427
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-3...)Show SMILES C[C@@H]1CN(CCc2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(11-9-17-4-3-10-25-14-17)12-13-27(16)31(29,30)19-7-5-18(6-8-19)20(2,28)21(22,23)24/h3-8,10,14,16,28H,9,11-13,15H2,1-2H3/t16-,20?/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248566
(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxyp...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17?/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248252
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-4...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(12-9-17-7-10-25-11-8-17)13-14-27(16)31(29,30)19-5-3-18(4-6-19)20(2,28)21(22,23)24/h3-8,10-11,16,28H,9,12-15H2,1-2H3/t16-,20?/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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM32573
(CHEMBL427896 | arylsulfonylpiperazine, 45)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248567
(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxyp...)Show SMILES C[C@@H]1CN(CC2(CCC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C20H28F3N3O4S/c1-14-12-25(13-19(17(24)27)8-3-9-19)10-11-26(14)31(29,30)16-6-4-15(5-7-16)18(2,28)20(21,22)23/h4-7,14,28H,3,8-13H2,1-2H3,(H2,24,27)/t14-,18?/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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248308
((2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(1-...)Show SMILES CC(N1CCN([C@H](C)C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccncc1 |r| Show InChI InChI=1S/C22H31N3O2S/c1-17-16-24(18(2)19-10-12-23-13-11-19)14-15-25(17)28(26,27)21-8-6-20(7-9-21)22(3,4)5/h6-13,17-18H,14-16H2,1-5H3/t17-,18?/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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248370
((2R)-2-methyl-4-(2-(pyridin-4-yl)ethyl)-1-(4-(1,1,...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(F)C(F)(F)F |r| Show InChI InChI=1S/C21H25F4N3O2S/c1-16-15-27(12-9-17-7-10-26-11-8-17)13-14-28(16)31(29,30)19-5-3-18(4-6-19)20(2,22)21(23,24)25/h3-8,10-11,16H,9,12-15H2,1-2H3/t16-,20?/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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248425
((R)-(1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)piper...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CO)CC1 |r| Show InChI InChI=1S/C22H29N3O3S/c1-18-16-24(13-8-19-6-11-23-12-7-19)14-15-25(18)29(27,28)21-4-2-20(3-5-21)22(17-26)9-10-22/h2-7,11-12,18,26H,8-10,13-17H2,1H3/t18-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248255
((R)-2-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)pipera...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)O |r| Show InChI InChI=1S/C21H29N3O3S/c1-17-16-23(13-10-18-8-11-22-12-9-18)14-15-24(17)28(26,27)20-6-4-19(5-7-20)21(2,3)25/h4-9,11-12,17,25H,10,13-16H2,1-3H3/t17-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248309
((R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(2-(...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C22H31N3O2S/c1-18-17-24(14-11-19-9-12-23-13-10-19)15-16-25(18)28(26,27)21-7-5-20(6-8-21)22(2,3)4/h5-10,12-13,18H,11,14-17H2,1-4H3/t18-/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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248254
((R)-4-((4-(4-tert-butylphenylsulfonyl)-3-methylpip...)Show SMILES C[C@@H]1CN(Cc2ccnc3ccccc23)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C25H31N3O2S/c1-19-17-27(18-20-13-14-26-24-8-6-5-7-23(20)24)15-16-28(19)31(29,30)22-11-9-21(10-12-22)25(2,3)4/h5-14,19H,15-18H2,1-4H3/t19-/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 | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50247925
(1-(((R)-3-methyl-4-(4-((R)-1,1,1-trifluoro-2-hydro...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17-/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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248426
((R)-4-((1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)pi...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CN2CCOCC2)CC1 |r| Show InChI InChI=1S/C26H36N4O3S/c1-22-20-28(13-8-23-6-11-27-12-7-23)14-15-30(22)34(31,32)25-4-2-24(3-5-25)26(9-10-26)21-29-16-18-33-19-17-29/h2-7,11-12,22H,8-10,13-21H2,1H3/t22-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248428
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-2...)Show SMILES C[C@@H]1CN(CCc2ccccn2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(12-10-18-5-3-4-11-25-18)13-14-27(16)31(29,30)19-8-6-17(7-9-19)20(2,28)21(22,23)24/h3-9,11,16,28H,10,12-15H2,1-2H3/t16-,20?/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248311
((R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(pyr...)Show SMILES C[C@@H]1CN(Cc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O2S/c1-17-15-23(16-18-9-11-22-12-10-18)13-14-24(17)27(25,26)20-7-5-19(6-8-20)21(2,3)4/h5-12,17H,13-16H2,1-4H3/t17-/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 | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248371
(1-(4-((R)-2-methyl-4-(2-(pyridin-4-yl)ethyl)pipera...)Show SMILES CC(O)c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccncc2)C[C@H]1C |r| Show InChI InChI=1S/C20H27N3O3S/c1-16-15-22(12-9-18-7-10-21-11-8-18)13-14-23(16)27(25,26)20-5-3-19(4-6-20)17(2)24/h3-8,10-11,16-17,24H,9,12-15H2,1-2H3/t16-,17?/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248569
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248372
((2R)-1-(4-(1-fluoroethyl)phenylsulfonyl)-2-methyl-...)Show SMILES CC(F)c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccncc2)C[C@H]1C |r| Show InChI InChI=1S/C20H26FN3O2S/c1-16-15-23(12-9-18-7-10-22-11-8-18)13-14-24(16)27(25,26)20-5-3-19(4-6-20)17(2)21/h3-8,10-11,16-17H,9,12-15H2,1-2H3/t16-,17?/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248252
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-4...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(12-9-17-7-10-25-11-8-17)13-14-27(16)31(29,30)19-5-3-18(4-6-19)20(2,28)21(22,23)24/h3-8,10-11,16,28H,9,12-15H2,1-2H3/t16-,20?/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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248566
(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxyp...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17?/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 | 25.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248519
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C24H30F3N3O3S/c1-18-16-29(17-23(10-4-11-23)20-5-3-12-28-15-20)13-14-30(18)34(32,33)21-8-6-19(7-9-21)22(2,31)24(25,26)27/h3,5-9,12,15,18,31H,4,10-11,13-14,16-17H2,1-2H3/t18-,22?/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248472
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-4-3-11-27-14-19)12-13-29(17)33(31,32)20-7-5-18(6-8-20)21(2,30)23(24,25)26/h3-8,11,14,17,30H,9-10,12-13,15-16H2,1-2H3/t17-,21?/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248427
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-3...)Show SMILES C[C@@H]1CN(CCc2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(11-9-17-4-3-10-25-14-17)12-13-27(16)31(29,30)19-7-5-18(6-8-19)20(2,28)21(22,23)24/h3-8,10,14,16,28H,9,11-13,15H2,1-2H3/t16-,20?/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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248373
((R)-1-(4-(1,1-difluoroethyl)phenylsulfonyl)-2-meth...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(F)F |r| Show InChI InChI=1S/C20H25F2N3O2S/c1-16-15-24(12-9-17-7-10-23-11-8-17)13-14-25(16)28(26,27)19-5-3-18(4-6-19)20(2,21)22/h3-8,10-11,16H,9,12-15H2,1-2H3/t16-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248521
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCCC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C25H32F3N3O3S/c1-19-17-30(18-24(11-3-4-12-24)21-6-5-13-29-16-21)14-15-31(19)35(33,34)22-9-7-20(8-10-22)23(2,32)25(26,27)28/h5-10,13,16,19,32H,3-4,11-12,14-15,17-18H2,1-2H3/t19-,23?/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248469
(2-(4-((R)-4-(2,2-difluoro-2-(pyridin-4-yl)ethyl)-2...)Show SMILES C[C@@H]1CN(CC(F)(F)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H24F5N3O3S/c1-15-13-28(14-20(22,23)17-7-9-27-10-8-17)11-12-29(15)33(31,32)18-5-3-16(4-6-18)19(2,30)21(24,25)26/h3-10,15,30H,11-14H2,1-2H3/t15-,19?/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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248471
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-7-11-27-12-8-19)13-14-29(17)33(31,32)20-5-3-18(4-6-20)21(2,30)23(24,25)26/h3-8,11-12,17,30H,9-10,13-16H2,1-2H3/t17-,21?/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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248520
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C25H32F3N3O3S/c1-19-17-30(18-24(11-3-4-12-24)21-9-13-29-14-10-21)15-16-31(19)35(33,34)22-7-5-20(6-8-22)23(2,32)25(26,27)28/h5-10,13-14,19,32H,3-4,11-12,15-18H2,1-2H3/t19-,23?/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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248307
((R)-1-(4-(2-fluoropropan-2-yl)phenylsulfonyl)-2-me...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)F |r| Show InChI InChI=1S/C21H28FN3O2S/c1-17-16-24(13-10-18-8-11-23-12-9-18)14-15-25(17)28(26,27)20-6-4-19(5-7-20)21(2,3)22/h4-9,11-12,17H,10,13-16H2,1-3H3/t17-/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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248518
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C24H30F3N3O3S/c1-18-16-29(17-23(10-3-11-23)20-8-12-28-13-9-20)14-15-30(18)34(32,33)21-6-4-19(5-7-21)22(2,31)24(25,26)27/h4-9,12-13,18,31H,3,10-11,14-17H2,1-2H3/t18-,22?/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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248310
((R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(...)Show SMILES C[C@@H]1CN(CCCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C23H33N3O2S/c1-19-18-25(15-5-6-20-11-13-24-14-12-20)16-17-26(19)29(27,28)22-9-7-21(8-10-22)23(2,3)4/h7-14,19H,5-6,15-18H2,1-4H3/t19-/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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248425
((R)-(1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)piper...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CO)CC1 |r| Show InChI InChI=1S/C22H29N3O3S/c1-18-16-24(13-8-19-6-11-23-12-7-19)14-15-25(18)29(27,28)21-4-2-20(3-5-21)22(17-26)9-10-22/h2-7,11-12,18,26H,8-10,13-17H2,1H3/t18-/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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM32573
(CHEMBL427896 | arylsulfonylpiperazine, 45)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248309
((R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(2-(...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C22H31N3O2S/c1-18-17-24(14-11-19-9-12-23-13-10-19)15-16-25(18)28(26,27)21-7-5-20(6-8-21)22(2,3)4/h5-10,12-13,18H,11,14-17H2,1-4H3/t18-/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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248255
((R)-2-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)pipera...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)O |r| Show InChI InChI=1S/C21H29N3O3S/c1-17-16-23(13-10-18-8-11-22-12-9-18)14-15-24(17)28(26,27)20-6-4-19(5-7-20)21(2,3)25/h4-9,11-12,17,25H,10,13-16H2,1-3H3/t17-/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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248371
(1-(4-((R)-2-methyl-4-(2-(pyridin-4-yl)ethyl)pipera...)Show SMILES CC(O)c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccncc2)C[C@H]1C |r| Show InChI InChI=1S/C20H27N3O3S/c1-16-15-22(12-9-18-7-10-21-11-8-18)13-14-23(16)27(25,26)20-5-3-19(4-6-20)17(2)24/h3-8,10-11,16-17,24H,9,12-15H2,1-2H3/t16-,17?/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248370
((2R)-2-methyl-4-(2-(pyridin-4-yl)ethyl)-1-(4-(1,1,...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(F)C(F)(F)F |r| Show InChI InChI=1S/C21H25F4N3O2S/c1-16-15-27(12-9-17-7-10-26-11-8-17)13-14-28(16)31(29,30)19-5-3-18(4-6-19)20(2,22)21(23,24)25/h3-8,10-11,16H,9,12-15H2,1-2H3/t16-,20?/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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248470
(2-(4-((R)-4-(2,2-difluoro-2-(pyridin-3-yl)ethyl)-2...)Show SMILES C[C@@H]1CN(CC(F)(F)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H24F5N3O3S/c1-15-13-28(14-20(22,23)17-4-3-9-27-12-17)10-11-29(15)33(31,32)18-7-5-16(6-8-18)19(2,30)21(24,25)26/h3-9,12,15,30H,10-11,13-14H2,1-2H3/t15-,19?/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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248254
((R)-4-((4-(4-tert-butylphenylsulfonyl)-3-methylpip...)Show SMILES C[C@@H]1CN(Cc2ccnc3ccccc23)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C25H31N3O2S/c1-19-17-27(18-20-13-14-26-24-8-6-5-7-23(20)24)15-16-28(19)31(29,30)22-11-9-21(10-12-22)25(2,3)4/h5-14,19H,15-18H2,1-4H3/t19-/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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248373
((R)-1-(4-(1,1-difluoroethyl)phenylsulfonyl)-2-meth...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(F)F |r| Show InChI InChI=1S/C20H25F2N3O2S/c1-16-15-24(12-9-17-7-10-23-11-8-17)13-14-25(16)28(26,27)19-5-3-18(4-6-19)20(2,21)22/h3-8,10-11,16H,9,12-15H2,1-2H3/t16-/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 | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248253
((2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(ph...)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(c1ccccc1)c1ccncc1 |r| Show InChI InChI=1S/C27H33N3O2S/c1-21-20-29(26(22-8-6-5-7-9-22)23-14-16-28-17-15-23)18-19-30(21)33(31,32)25-12-10-24(11-13-25)27(2,3)4/h5-17,21,26H,18-20H2,1-4H3/t21-,26?/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 | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co... |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248308
((2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(1-...)Show SMILES CC(N1CCN([C@H](C)C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccncc1 |r| Show InChI InChI=1S/C22H31N3O2S/c1-17-16-24(18(2)19-10-12-23-13-11-19)14-15-25(17)28(26,27)21-8-6-20(7-9-21)22(3,4)5/h6-13,17-18H,14-16H2,1-5H3/t17-,18?/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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50247925
(1-(((R)-3-methyl-4-(4-((R)-1,1,1-trifluoro-2-hydro...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17-/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 | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248428
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-2...)Show SMILES C[C@@H]1CN(CCc2ccccn2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(12-10-18-5-3-4-11-25-18)13-14-27(16)31(29,30)19-8-6-17(7-9-19)20(2,28)21(22,23)24/h3-9,11,16,28H,10,12-15H2,1-2H3/t16-,20?/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 | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248372
((2R)-1-(4-(1-fluoroethyl)phenylsulfonyl)-2-methyl-...)Show SMILES CC(F)c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccncc2)C[C@H]1C |r| Show InChI InChI=1S/C20H26FN3O2S/c1-16-15-23(12-9-18-7-10-22-11-8-18)13-14-24(16)27(25,26)20-5-3-19(4-6-20)17(2)21/h3-8,10-11,16-17H,9,12-15H2,1-2H3/t16-,17?/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 | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248311
((R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(pyr...)Show SMILES C[C@@H]1CN(Cc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O2S/c1-17-15-23(16-18-9-11-22-12-10-18)13-14-24(17)27(25,26)20-7-5-19(6-8-20)21(2,3)4/h5-12,17H,13-16H2,1-4H3/t17-/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 | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50248471
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-7-11-27-12-8-19)13-14-29(17)33(31,32)20-5-3-18(4-6-20)21(2,30)23(24,25)26/h3-8,11-12,17,30H,9-10,13-16H2,1-2H3/t17-,21?/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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50248471
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)Show SMILES C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-7-11-27-12-8-19)13-14-29(17)33(31,32)20-5-3-18(4-6-20)21(2,30)23(24,25)26/h3-8,11-12,17,30H,9-10,13-16H2,1-2H3/t17-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248426
((R)-4-((1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)pi...)Show SMILES C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CN2CCOCC2)CC1 |r| Show InChI InChI=1S/C26H36N4O3S/c1-22-20-28(13-8-23-6-11-27-12-7-23)14-15-30(22)34(31,32)25-4-2-24(3-5-25)26(9-10-26)21-29-16-18-33-19-17-29/h2-7,11-12,22H,8-10,13-21H2,1H3/t22-/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 | 505 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248253
((2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(ph...)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(c1ccccc1)c1ccncc1 |r| Show InChI InChI=1S/C27H33N3O2S/c1-21-20-29(26(22-8-6-5-7-9-22)23-14-16-28-17-15-23)18-19-30(21)33(31,32)25-12-10-24(11-13-25)27(2,3)4/h5-17,21,26H,18-20H2,1-4H3/t21-,26?/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 | 825 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50248568
(4-(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydro...)Show SMILES C[C@@H]1CN(CC2(CC2)c2ccc(cc2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C25H30F3N3O4S/c1-17-15-30(16-24(11-12-24)20-5-3-18(4-6-20)22(29)32)13-14-31(17)36(34,35)21-9-7-19(8-10-21)23(2,33)25(26,27)28/h3-10,17,33H,11-16H2,1-2H3,(H2,29,32)/t17-,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50248567
(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxyp...)Show SMILES C[C@@H]1CN(CC2(CCC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C20H28F3N3O4S/c1-14-12-25(13-19(17(24)27)8-3-9-19)10-11-26(14)31(29,30)16-6-4-15(5-7-16)18(2,28)20(21,22)23/h4-7,14,28H,3,8-13H2,1-2H3,(H2,24,27)/t14-,18?/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 | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50248567
(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxyp...)Show SMILES C[C@@H]1CN(CC2(CCC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C20H28F3N3O4S/c1-14-12-25(13-19(17(24)27)8-3-9-19)10-11-26(14)31(29,30)16-6-4-15(5-7-16)18(2,28)20(21,22)23/h4-7,14,28H,3,8-13H2,1-2H3,(H2,24,27)/t14-,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50248569
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50247925
(1-(((R)-3-methyl-4-(4-((R)-1,1,1-trifluoro-2-hydro...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17-/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50248566
(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxyp...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17?/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247925
(1-(((R)-3-methyl-4-(4-((R)-1,1,1-trifluoro-2-hydro...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50248569
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50248566
(1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxyp...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50248569
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 19: 1522-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN |
More data for this
Ligand-Target Pair | |
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