Found 81 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
(Mus musculus (mouse)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192686
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192673
(2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19? | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192685
((3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17+ | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192674
(4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-20(2,19(33)29-22-8-5-21(6-9-22,7-10-22)18(27)32)31-13-11-30(12-14-31)17-4-3-16(15-28-17)23(24,25)26/h3-4,15H,5-14H2,1-2H3,(H2,27,32)(H,29,33) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192675
((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192677
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+ | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192673
(2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192675
((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192686
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192685
((3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192676
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:29.34,wD:22.23,TLB:21:22:26.25.24:30.29.28,31:29:26.25.24:22,(2.38,-31.91,;1.05,-31.13,;-.3,-31.88,;2.38,-30.36,;3.72,-31.14,;5.05,-30.38,;5.06,-28.84,;3.73,-28.07,;2.39,-28.83,;6.39,-28.08,;6.4,-26.54,;7.73,-25.78,;9.07,-26.55,;9.06,-28.09,;7.73,-28.86,;10.41,-25.79,;11.73,-25,;11.18,-27.12,;9.63,-24.45,;-.28,-30.36,;-.28,-28.82,;-1.62,-31.13,;-2.94,-30.36,;-3.96,-31.16,;-3.84,-32.92,;-4.66,-33.85,;-3.21,-33.8,;-3.19,-31.84,;-4.96,-31.86,;-6.07,-32.63,;-5.66,-31.16,;-7.4,-31.86,;-7.41,-30.31,;-8.75,-32.63,)| Show InChI InChI=1S/C24H33F3N4O3/c1-23(2,22(34)29-20-15-4-3-5-16(20)13-17(12-15)21(32)33)31-10-8-30(9-11-31)19-7-6-18(14-28-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H,29,34)(H,32,33)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192671
(2-(4-chlorophenoxy)-N-(5-cyanocyclooctyl)-2-methyl...)Show InChI InChI=1S/C19H25ClN2O2/c1-19(2,24-17-11-9-15(20)10-12-17)18(23)22-16-7-3-5-14(13-21)6-4-8-16/h9-12,14,16H,3-8H2,1-2H3,(H,22,23) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192681
(CHEMBL218246 | N-(5-cyanocyclooctyl)-2-methyl-2-(4...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CCCC(CCC1)C#N Show InChI InChI=1S/C23H32F3N5O/c1-22(2,21(32)29-19-7-3-5-17(15-27)6-4-8-19)31-13-11-30(12-14-31)20-10-9-18(16-28-20)23(24,25)26/h9-10,16-17,19H,3-8,11-14H2,1-2H3,(H,29,32) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192683
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192682
((3r,8r)-8-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCC1C[C@H](C2)C(O)=O |wU:22.23,wD:28.33,THB:30:28:22:24.25,(19.34,-4.03,;18.58,-5.37,;17.03,-5.37,;20.12,-5.32,;20.89,-6.66,;22.43,-6.66,;23.2,-5.32,;22.42,-3.99,;20.87,-3.99,;24.73,-5.31,;25.49,-3.98,;27.03,-3.97,;27.81,-5.31,;27.04,-6.64,;25.51,-6.65,;29.35,-5.3,;30.89,-5.27,;29.37,-6.84,;29.34,-3.76,;17.85,-6.73,;18.67,-8.04,;16.32,-6.79,;15.59,-8.14,;15.4,-9.69,;16.45,-10.99,;15.23,-10.33,;14.58,-9.03,;12.82,-9.07,;12.62,-10.63,;13.56,-9.78,;12.3,-12.13,;10.83,-12.61,;13.44,-13.17,)| Show InChI InChI=1S/C23H31F3N4O3/c1-22(2,21(33)28-19-14-3-4-15(19)12-16(11-14)20(31)32)30-9-7-29(8-10-30)18-6-5-17(13-27-18)23(24,25)26/h5-6,13-16,19H,3-4,7-12H2,1-2H3,(H,28,33)(H,31,32)/t14?,15?,16-,19- | 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 | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192685
((3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17+ | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192683
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192682
((3r,8r)-8-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCC1C[C@H](C2)C(O)=O |wU:22.23,wD:28.33,THB:30:28:22:24.25,(19.34,-4.03,;18.58,-5.37,;17.03,-5.37,;20.12,-5.32,;20.89,-6.66,;22.43,-6.66,;23.2,-5.32,;22.42,-3.99,;20.87,-3.99,;24.73,-5.31,;25.49,-3.98,;27.03,-3.97,;27.81,-5.31,;27.04,-6.64,;25.51,-6.65,;29.35,-5.3,;30.89,-5.27,;29.37,-6.84,;29.34,-3.76,;17.85,-6.73,;18.67,-8.04,;16.32,-6.79,;15.59,-8.14,;15.4,-9.69,;16.45,-10.99,;15.23,-10.33,;14.58,-9.03,;12.82,-9.07,;12.62,-10.63,;13.56,-9.78,;12.3,-12.13,;10.83,-12.61,;13.44,-13.17,)| Show InChI InChI=1S/C23H31F3N4O3/c1-22(2,21(33)28-19-14-3-4-15(19)12-16(11-14)20(31)32)30-9-7-29(8-10-30)18-6-5-17(13-27-18)23(24,25)26/h5-6,13-16,19H,3-4,7-12H2,1-2H3,(H,28,33)(H,31,32)/t14?,15?,16-,19- | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192677
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192687
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(2.25,-20.96,;.92,-20.19,;-.44,-20.94,;2.25,-19.42,;2.25,-17.88,;3.59,-17.11,;3.59,-15.57,;2.26,-14.8,;2.26,-13.26,;.92,-15.58,;.92,-17.11,;-.42,-19.42,;-.41,-17.88,;-1.75,-20.18,;-3.08,-19.42,;-4.1,-20.22,;-3.98,-21.97,;-4.8,-22.91,;-3.34,-22.85,;-3.32,-20.9,;-5.09,-20.91,;-6.2,-21.69,;-5.79,-20.22,;-7.54,-20.91,;-7.54,-19.37,;-8.88,-21.69,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17- | 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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192687
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(2.25,-20.96,;.92,-20.19,;-.44,-20.94,;2.25,-19.42,;2.25,-17.88,;3.59,-17.11,;3.59,-15.57,;2.26,-14.8,;2.26,-13.26,;.92,-15.58,;.92,-17.11,;-.42,-19.42,;-.41,-17.88,;-1.75,-20.18,;-3.08,-19.42,;-4.1,-20.22,;-3.98,-21.97,;-4.8,-22.91,;-3.34,-22.85,;-3.32,-20.9,;-5.09,-20.91,;-6.2,-21.69,;-5.79,-20.22,;-7.54,-20.91,;-7.54,-19.37,;-8.88,-21.69,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192677
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+ | 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 | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192673
(2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19? | 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 | 199 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192681
(CHEMBL218246 | N-(5-cyanocyclooctyl)-2-methyl-2-(4...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CCCC(CCC1)C#N Show InChI InChI=1S/C23H32F3N5O/c1-22(2,21(32)29-19-7-3-5-17(15-27)6-4-8-19)31-13-11-30(12-14-31)20-10-9-18(16-28-20)23(24,25)26/h9-10,16-17,19H,3-8,11-14H2,1-2H3,(H,29,32) | 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 | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192671
(2-(4-chlorophenoxy)-N-(5-cyanocyclooctyl)-2-methyl...)Show InChI InChI=1S/C19H25ClN2O2/c1-19(2,24-17-11-9-15(20)10-12-17)18(23)22-16-7-3-5-14(13-21)6-4-8-16/h9-12,14,16H,3-8H2,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192680
(7-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC2CC(C1)CC(C2)C(N)=O |TLB:21:22:28.29.30:25,31:29:23.22.27:25| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-19-12-15-9-16(13-19)11-17(10-15)21(28)33)32-7-5-31(6-8-32)20-4-3-18(14-29-20)24(25,26)27/h3-4,14-17,19H,5-13H2,1-2H3,(H2,28,33)(H,30,34) | 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 | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192674
(4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-20(2,19(33)29-22-8-5-21(6-9-22,7-10-22)18(27)32)31-13-11-30(12-14-31)17-4-3-16(15-28-17)23(24,25)26/h3-4,15H,5-14H2,1-2H3,(H2,27,32)(H,29,33) | 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 | 442 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192686
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24) | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192678
((1R,7S,8r)-ethyl 4-(2-(4-chlorophenoxy)-2-methylpr...)Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C21H28ClNO4/c1-4-26-19(24)18-16-11-7-14(8-12-17(16)18)23-20(25)21(2,3)27-15-9-5-13(22)6-10-15/h5-6,9-10,14,16-18H,4,7-8,11-12H2,1-3H3,(H,23,25)/t14?,16-,17+,18+ | 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 | 587 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192676
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:29.34,wD:22.23,TLB:21:22:26.25.24:30.29.28,31:29:26.25.24:22,(2.38,-31.91,;1.05,-31.13,;-.3,-31.88,;2.38,-30.36,;3.72,-31.14,;5.05,-30.38,;5.06,-28.84,;3.73,-28.07,;2.39,-28.83,;6.39,-28.08,;6.4,-26.54,;7.73,-25.78,;9.07,-26.55,;9.06,-28.09,;7.73,-28.86,;10.41,-25.79,;11.73,-25,;11.18,-27.12,;9.63,-24.45,;-.28,-30.36,;-.28,-28.82,;-1.62,-31.13,;-2.94,-30.36,;-3.96,-31.16,;-3.84,-32.92,;-4.66,-33.85,;-3.21,-33.8,;-3.19,-31.84,;-4.96,-31.86,;-6.07,-32.63,;-5.66,-31.16,;-7.4,-31.86,;-7.41,-30.31,;-8.75,-32.63,)| Show InChI InChI=1S/C24H33F3N4O3/c1-23(2,22(34)29-20-15-4-3-5-16(20)13-17(12-15)21(32)33)31-10-8-30(9-11-31)19-7-6-18(14-28-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H,29,34)(H,32,33)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 606 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192671
(2-(4-chlorophenoxy)-N-(5-cyanocyclooctyl)-2-methyl...)Show InChI InChI=1S/C19H25ClN2O2/c1-19(2,24-17-11-9-15(20)10-12-17)18(23)22-16-7-3-5-14(13-21)6-4-8-16/h9-12,14,16H,3-8H2,1-2H3,(H,22,23) | 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 | 637 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192676
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:29.34,wD:22.23,TLB:21:22:26.25.24:30.29.28,31:29:26.25.24:22,(2.38,-31.91,;1.05,-31.13,;-.3,-31.88,;2.38,-30.36,;3.72,-31.14,;5.05,-30.38,;5.06,-28.84,;3.73,-28.07,;2.39,-28.83,;6.39,-28.08,;6.4,-26.54,;7.73,-25.78,;9.07,-26.55,;9.06,-28.09,;7.73,-28.86,;10.41,-25.79,;11.73,-25,;11.18,-27.12,;9.63,-24.45,;-.28,-30.36,;-.28,-28.82,;-1.62,-31.13,;-2.94,-30.36,;-3.96,-31.16,;-3.84,-32.92,;-4.66,-33.85,;-3.21,-33.8,;-3.19,-31.84,;-4.96,-31.86,;-6.07,-32.63,;-5.66,-31.16,;-7.4,-31.86,;-7.41,-30.31,;-8.75,-32.63,)| Show InChI InChI=1S/C24H33F3N4O3/c1-23(2,22(34)29-20-15-4-3-5-16(20)13-17(12-15)21(32)33)31-10-8-30(9-11-31)19-7-6-18(14-28-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H,29,34)(H,32,33)/t15?,16?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192685
((3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192674
(4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-20(2,19(33)29-22-8-5-21(6-9-22,7-10-22)18(27)32)31-13-11-30(12-14-31)17-4-3-16(15-28-17)23(24,25)26/h3-4,15H,5-14H2,1-2H3,(H2,27,32)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192675
((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16- | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192683
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192681
(CHEMBL218246 | N-(5-cyanocyclooctyl)-2-methyl-2-(4...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CCCC(CCC1)C#N Show InChI InChI=1S/C23H32F3N5O/c1-22(2,21(32)29-19-7-3-5-17(15-27)6-4-8-19)31-13-11-30(12-14-31)20-10-9-18(16-28-20)23(24,25)26/h9-10,16-17,19H,3-8,11-14H2,1-2H3,(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192682
((3r,8r)-8-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCC1C[C@H](C2)C(O)=O |wU:22.23,wD:28.33,THB:30:28:22:24.25,(19.34,-4.03,;18.58,-5.37,;17.03,-5.37,;20.12,-5.32,;20.89,-6.66,;22.43,-6.66,;23.2,-5.32,;22.42,-3.99,;20.87,-3.99,;24.73,-5.31,;25.49,-3.98,;27.03,-3.97,;27.81,-5.31,;27.04,-6.64,;25.51,-6.65,;29.35,-5.3,;30.89,-5.27,;29.37,-6.84,;29.34,-3.76,;17.85,-6.73,;18.67,-8.04,;16.32,-6.79,;15.59,-8.14,;15.4,-9.69,;16.45,-10.99,;15.23,-10.33,;14.58,-9.03,;12.82,-9.07,;12.62,-10.63,;13.56,-9.78,;12.3,-12.13,;10.83,-12.61,;13.44,-13.17,)| Show InChI InChI=1S/C23H31F3N4O3/c1-22(2,21(33)28-19-14-3-4-15(19)12-16(11-14)20(31)32)30-9-7-29(8-10-30)18-6-5-17(13-27-18)23(24,25)26/h5-6,13-16,19H,3-4,7-12H2,1-2H3,(H,28,33)(H,31,32)/t14?,15?,16-,19- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192682
((3r,8r)-8-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCC1C[C@H](C2)C(O)=O |wU:22.23,wD:28.33,THB:30:28:22:24.25,(19.34,-4.03,;18.58,-5.37,;17.03,-5.37,;20.12,-5.32,;20.89,-6.66,;22.43,-6.66,;23.2,-5.32,;22.42,-3.99,;20.87,-3.99,;24.73,-5.31,;25.49,-3.98,;27.03,-3.97,;27.81,-5.31,;27.04,-6.64,;25.51,-6.65,;29.35,-5.3,;30.89,-5.27,;29.37,-6.84,;29.34,-3.76,;17.85,-6.73,;18.67,-8.04,;16.32,-6.79,;15.59,-8.14,;15.4,-9.69,;16.45,-10.99,;15.23,-10.33,;14.58,-9.03,;12.82,-9.07,;12.62,-10.63,;13.56,-9.78,;12.3,-12.13,;10.83,-12.61,;13.44,-13.17,)| Show InChI InChI=1S/C23H31F3N4O3/c1-22(2,21(33)28-19-14-3-4-15(19)12-16(11-14)20(31)32)30-9-7-29(8-10-30)18-6-5-17(13-27-18)23(24,25)26/h5-6,13-16,19H,3-4,7-12H2,1-2H3,(H,28,33)(H,31,32)/t14?,15?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192678
((1R,7S,8r)-ethyl 4-(2-(4-chlorophenoxy)-2-methylpr...)Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C21H28ClNO4/c1-4-26-19(24)18-16-11-7-14(8-12-17(16)18)23-20(25)21(2,3)27-15-9-5-13(22)6-10-15/h5-6,9-10,14,16-18H,4,7-8,11-12H2,1-3H3,(H,23,25)/t14?,16-,17+,18+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192680
(7-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC2CC(C1)CC(C2)C(N)=O |TLB:21:22:28.29.30:25,31:29:23.22.27:25| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-19-12-15-9-16(13-19)11-17(10-15)21(28)33)32-7-5-31(6-8-32)20-4-3-18(14-29-20)24(25,26)27/h3-4,14-17,19H,5-13H2,1-2H3,(H2,28,33)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192676
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:29.34,wD:22.23,TLB:21:22:26.25.24:30.29.28,31:29:26.25.24:22,(2.38,-31.91,;1.05,-31.13,;-.3,-31.88,;2.38,-30.36,;3.72,-31.14,;5.05,-30.38,;5.06,-28.84,;3.73,-28.07,;2.39,-28.83,;6.39,-28.08,;6.4,-26.54,;7.73,-25.78,;9.07,-26.55,;9.06,-28.09,;7.73,-28.86,;10.41,-25.79,;11.73,-25,;11.18,-27.12,;9.63,-24.45,;-.28,-30.36,;-.28,-28.82,;-1.62,-31.13,;-2.94,-30.36,;-3.96,-31.16,;-3.84,-32.92,;-4.66,-33.85,;-3.21,-33.8,;-3.19,-31.84,;-4.96,-31.86,;-6.07,-32.63,;-5.66,-31.16,;-7.4,-31.86,;-7.41,-30.31,;-8.75,-32.63,)| Show InChI InChI=1S/C24H33F3N4O3/c1-23(2,22(34)29-20-15-4-3-5-16(20)13-17(12-15)21(32)33)31-10-8-30(9-11-31)19-7-6-18(14-28-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H,29,34)(H,32,33)/t15?,16?,17-,20- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192685
((3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192682
((3r,8r)-8-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCC1C[C@H](C2)C(O)=O |wU:22.23,wD:28.33,THB:30:28:22:24.25,(19.34,-4.03,;18.58,-5.37,;17.03,-5.37,;20.12,-5.32,;20.89,-6.66,;22.43,-6.66,;23.2,-5.32,;22.42,-3.99,;20.87,-3.99,;24.73,-5.31,;25.49,-3.98,;27.03,-3.97,;27.81,-5.31,;27.04,-6.64,;25.51,-6.65,;29.35,-5.3,;30.89,-5.27,;29.37,-6.84,;29.34,-3.76,;17.85,-6.73,;18.67,-8.04,;16.32,-6.79,;15.59,-8.14,;15.4,-9.69,;16.45,-10.99,;15.23,-10.33,;14.58,-9.03,;12.82,-9.07,;12.62,-10.63,;13.56,-9.78,;12.3,-12.13,;10.83,-12.61,;13.44,-13.17,)| Show InChI InChI=1S/C23H31F3N4O3/c1-22(2,21(33)28-19-14-3-4-15(19)12-16(11-14)20(31)32)30-9-7-29(8-10-30)18-6-5-17(13-27-18)23(24,25)26/h5-6,13-16,19H,3-4,7-12H2,1-2H3,(H,28,33)(H,31,32)/t14?,15?,16-,19- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192683
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192681
(CHEMBL218246 | N-(5-cyanocyclooctyl)-2-methyl-2-(4...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CCCC(CCC1)C#N Show InChI InChI=1S/C23H32F3N5O/c1-22(2,21(32)29-19-7-3-5-17(15-27)6-4-8-19)31-13-11-30(12-14-31)20-10-9-18(16-28-20)23(24,25)26/h9-10,16-17,19H,3-8,11-14H2,1-2H3,(H,29,32) | KEGG
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | KEGG
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192683
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+ | KEGG
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192677
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+ | KEGG
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| CHEMBL
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PC sid
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192673
(2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19? | KEGG
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UniChem
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192672
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)| Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20- | KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192674
(4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-20(2,19(33)29-22-8-5-21(6-9-22,7-10-22)18(27)32)31-13-11-30(12-14-31)17-4-3-16(15-28-17)23(24,25)26/h3-4,15H,5-14H2,1-2H3,(H2,27,32)(H,29,33) | KEGG
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| CHEMBL
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UniChem
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| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | KEGG
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192674
(4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-20(2,19(33)29-22-8-5-21(6-9-22,7-10-22)18(27)32)31-13-11-30(12-14-31)17-4-3-16(15-28-17)23(24,25)26/h3-4,15H,5-14H2,1-2H3,(H2,27,32)(H,29,33) | KEGG
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192686
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24) | KEGG
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192686
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24) | KEGG
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PC cid
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PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192675
((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16- | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192675
((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16- | KEGG
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| 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | KEGG
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UniChem
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | KEGG
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192681
(CHEMBL218246 | N-(5-cyanocyclooctyl)-2-methyl-2-(4...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CCCC(CCC1)C#N Show InChI InChI=1S/C23H32F3N5O/c1-22(2,21(32)29-19-7-3-5-17(15-27)6-4-8-19)31-13-11-30(12-14-31)20-10-9-18(16-28-20)23(24,25)26/h9-10,16-17,19H,3-8,11-14H2,1-2H3,(H,29,32) | KEGG
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192671
(2-(4-chlorophenoxy)-N-(5-cyanocyclooctyl)-2-methyl...)Show InChI InChI=1S/C19H25ClN2O2/c1-19(2,24-17-11-9-15(20)10-12-17)18(23)22-16-7-3-5-14(13-21)6-4-8-16/h9-12,14,16H,3-8H2,1-2H3,(H,22,23) | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192677
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+ | KEGG
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| CHEMBL
PC cid
PC sid
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192671
(2-(4-chlorophenoxy)-N-(5-cyanocyclooctyl)-2-methyl...)Show InChI InChI=1S/C19H25ClN2O2/c1-19(2,24-17-11-9-15(20)10-12-17)18(23)22-16-7-3-5-14(13-21)6-4-8-16/h9-12,14,16H,3-8H2,1-2H3,(H,22,23) | KEGG
UniProtKB/SwissProt
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| 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192673
(2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19? | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192676
((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:29.34,wD:22.23,TLB:21:22:26.25.24:30.29.28,31:29:26.25.24:22,(2.38,-31.91,;1.05,-31.13,;-.3,-31.88,;2.38,-30.36,;3.72,-31.14,;5.05,-30.38,;5.06,-28.84,;3.73,-28.07,;2.39,-28.83,;6.39,-28.08,;6.4,-26.54,;7.73,-25.78,;9.07,-26.55,;9.06,-28.09,;7.73,-28.86,;10.41,-25.79,;11.73,-25,;11.18,-27.12,;9.63,-24.45,;-.28,-30.36,;-.28,-28.82,;-1.62,-31.13,;-2.94,-30.36,;-3.96,-31.16,;-3.84,-32.92,;-4.66,-33.85,;-3.21,-33.8,;-3.19,-31.84,;-4.96,-31.86,;-6.07,-32.63,;-5.66,-31.16,;-7.4,-31.86,;-7.41,-30.31,;-8.75,-32.63,)| Show InChI InChI=1S/C24H33F3N4O3/c1-23(2,22(34)29-20-15-4-3-5-16(20)13-17(12-15)21(32)33)31-10-8-30(9-11-31)19-7-6-18(14-28-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H,29,34)(H,32,33)/t15?,16?,17-,20- | KEGG
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| CHEMBL
PC cid
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UniChem
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
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