Found 6 hits for monomerid = 50192683 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | 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 UniProtKB/TrEMBL
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)) | 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 UniProtKB/TrEMBL
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)) | 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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 87.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of 11beta-HSD1 |
Bioorg Med Chem Lett 18: 2479-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 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
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 2 (11-beta-HSD2)
(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 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 UniProtKB/TrEMBL
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 | |