Found 160 hits with Last Name = 'hosea' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317221
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317224
((2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrroli...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(16.19,2.36,;14.84,1.61,;14.82,.07,;13.47,-.68,;13.46,-2.21,;12.06,-2.57,;10.72,-2.07,;9.51,-3.36,;11.02,-2.93,;12.44,-3.5,;11.01,-1.34,;12.06,-.09,;10.7,-.58,;13.33,2.12,;12.11,1.14,;10.87,2.05,;11.33,3.52,;12.87,3.53,;13.64,4.87,;15.19,4.87,;15.96,3.52,;17.5,3.52,;18.28,4.86,;17.51,6.2,;15.96,6.21,)| Show InChI InChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317218
((2R)-N-(adamantan-2-yl)-1-(3,3,3-trifluoropropyl)p...)Show SMILES FC(F)(F)CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(-5.42,-32.99,;-4.79,-34.4,;-3.25,-34.55,;-4.03,-33.05,;-5.69,-35.65,;-5.05,-37.05,;-5.95,-38.3,;-7.48,-38.31,;-7.95,-39.77,;-6.71,-40.68,;-5.5,-39.7,;-3.99,-40.21,;-2.65,-39.46,;-4.02,-41.75,;-5.36,-42.5,;-5.37,-44.03,;-6.77,-44.38,;-8.11,-43.89,;-9.31,-45.17,;-7.8,-44.74,;-6.39,-45.31,;-7.81,-43.16,;-6.76,-41.92,;-8.12,-42.4,)| Show InChI InChI=1S/C18H27F3N2O/c19-18(20,21)3-5-23-4-1-2-15(23)17(24)22-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10H2,(H,22,24)/t11?,12?,13?,14?,15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29864
(N-(Pyridin-2-yl) arylsulfonamide, 26)Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | <-50.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317217
((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...)Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:9.10,TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:12:13:17.18.20:22,13:14:17:20.21.22,13:21:17:15.19.14,(27.97,-20.63,;27.2,-21.96,;25.66,-21.96,;26.42,-20.62,;27.97,-23.29,;27.07,-24.54,;25.53,-24.56,;25.07,-26.02,;26.31,-26.92,;27.52,-25.95,;29.03,-26.46,;30.37,-25.71,;29,-28,;27.66,-28.74,;27.65,-30.27,;26.25,-30.63,;24.91,-30.13,;23.71,-31.41,;25.22,-30.99,;26.63,-31.56,;25.21,-29.4,;26.26,-28.16,;24.9,-28.65,)| Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317223
((2R)-N-(adamantan-2-yl)-1-(pyridin-2-yl)pyrrolidin...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(6.04,2.3,;4.69,1.55,;4.66,.01,;3.32,-.73,;3.31,-2.26,;1.91,-2.62,;.57,-2.12,;-.63,-3.4,;.88,-2.98,;2.29,-3.54,;.87,-1.39,;1.92,-.15,;.56,-.63,;3.18,2.06,;1.97,1.09,;.73,1.99,;1.2,3.45,;2.72,3.47,;4.03,4.27,;4,5.82,;5.31,6.62,;6.67,5.87,;6.7,4.35,;5.39,3.54,)| Show InChI InChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317213
((2R)-N-(adamantan-2-yl)-1-(cyclopentylmethyl)pyrro...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(25.66,-12.64,;24.31,-13.39,;24.29,-14.93,;22.94,-15.67,;22.93,-17.2,;21.53,-17.56,;20.2,-17.06,;19,-18.34,;20.5,-17.92,;21.92,-18.49,;20.5,-16.33,;21.54,-15.09,;20.18,-15.58,;22.8,-12.88,;21.59,-13.85,;20.36,-12.95,;20.82,-11.49,;22.35,-11.47,;23.25,-10.22,;22.62,-8.82,;23.38,-7.49,;22.34,-6.35,;20.94,-6.98,;21.1,-8.51,)| Show InChI InChI=1S/C21H34N2O/c24-21(19-6-3-7-23(19)13-14-4-1-2-5-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317211
((2R)-N-(adamantan-2-yl)-1-propylpyrrolidine-2-carb...)Show SMILES CCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(3.7,-6.03,;2.79,-7.28,;3.42,-8.69,;2.52,-9.94,;.99,-9.95,;.52,-11.41,;1.76,-12.31,;2.97,-11.34,;4.48,-11.85,;5.83,-11.1,;4.45,-13.39,;3.11,-14.13,;3.1,-15.67,;1.7,-16.02,;.36,-15.52,;-.84,-16.81,;.67,-16.38,;2.08,-16.95,;.66,-14.8,;1.71,-13.55,;.35,-14.04,)| Show InChI InChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317209
((2R)-N-(adamantan-2-yl)-1-ethylpyrrolidine-2-carbo...)Show SMILES CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:6.7,TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:9:10:14.15.17:19,10:11:14:17.18.19,10:18:14:12.16.11,(-6.05,6.18,;-5.42,4.76,;-6.33,3.51,;-7.87,3.49,;-8.34,2.03,;-7.09,1.12,;-5.88,2.1,;-4.36,1.59,;-3,2.34,;-4.38,.05,;-5.73,-.7,;-5.74,-2.24,;-7.15,-2.6,;-8.49,-2.1,;-9.69,-3.39,;-8.18,-2.96,;-6.76,-3.53,;-8.19,-1.37,;-7.14,-.12,;-8.5,-.6,)| Show InChI InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317211
((2R)-N-(adamantan-2-yl)-1-propylpyrrolidine-2-carb...)Show SMILES CCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(3.7,-6.03,;2.79,-7.28,;3.42,-8.69,;2.52,-9.94,;.99,-9.95,;.52,-11.41,;1.76,-12.31,;2.97,-11.34,;4.48,-11.85,;5.83,-11.1,;4.45,-13.39,;3.11,-14.13,;3.1,-15.67,;1.7,-16.02,;.36,-15.52,;-.84,-16.81,;.67,-16.38,;2.08,-16.95,;.66,-14.8,;1.71,-13.55,;.35,-14.04,)| Show InChI InChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317212
((2R)-N-(adamantan-2-yl)-1-(propan-2-yl)pyrrolidine...)Show SMILES CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(12.99,-6.92,;13.62,-8.33,;15.15,-8.49,;12.71,-9.58,;11.18,-9.59,;10.72,-11.05,;11.95,-11.95,;13.17,-10.98,;14.67,-11.49,;16.02,-10.74,;14.65,-13.03,;13.3,-13.78,;13.3,-15.31,;11.9,-15.66,;10.56,-15.17,;9.36,-16.45,;10.87,-16.02,;12.28,-16.59,;10.86,-14.44,;11.9,-13.19,;10.55,-13.68,)| Show InChI InChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29863
(N-(Pyridin-2-yl) arylsulfonamide, 25)Show SMILES CC(C)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C21H19N3O2S/c1-15(2)20-4-3-5-21(23-20)24-27(25,26)19-12-10-18(11-13-19)17-8-6-16(14-22)7-9-17/h3-13,15H,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | -49.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29862
(N-(Pyridin-2-yl) arylsulfonamide, 24)Show SMILES O=S(=O)(Nc1cccc(n1)C1CC1)c1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H17N3O2S/c22-14-15-4-6-16(7-5-15)17-10-12-19(13-11-17)27(25,26)24-21-3-1-2-20(23-21)18-8-9-18/h1-7,10-13,18H,8-9H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | -49.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317219
((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...)Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(2.87,-33.68,;3.64,-35.01,;5.18,-35.02,;5.94,-36.36,;5.16,-37.69,;5.93,-39.03,;5.02,-40.28,;3.49,-40.29,;3.03,-41.75,;4.27,-42.66,;5.48,-41.68,;6.99,-42.19,;8.34,-41.44,;6.96,-43.73,;5.62,-44.48,;5.61,-46.01,;4.21,-46.36,;2.87,-45.87,;1.67,-47.15,;3.18,-46.72,;4.59,-47.29,;3.17,-45.14,;4.22,-43.9,;2.86,-44.38,;3.63,-37.69,;2.86,-36.35,)| Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317216
((2R)-N-(adamantan-2-yl)-1-(cyclohexylmethyl)pyrrol...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(18.88,-25.64,;17.53,-26.39,;17.51,-27.93,;16.16,-28.68,;16.15,-30.21,;14.75,-30.56,;13.41,-30.07,;12.22,-31.35,;13.72,-30.92,;15.13,-31.49,;13.71,-29.34,;14.76,-28.1,;13.4,-28.58,;16.02,-25.88,;14.81,-26.86,;13.57,-25.95,;14.04,-24.49,;15.57,-24.48,;16.47,-23.23,;15.7,-21.89,;16.48,-20.57,;15.71,-19.24,;14.17,-19.23,;13.4,-20.56,;14.17,-21.9,)| Show InChI InChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317210
((2R)-N-(adamantan-2-yl)-1-methylpyrrolidine-2-carb...)Show SMILES CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:5.6,TLB:15:14:18:11.10.9,15:10:13.14.16:18,THB:8:9:13.14.16:18,9:10:13:16.17.18,9:17:13:11.15.10,(-4.95,-6.94,;-5.86,-8.19,;-7.4,-8.21,;-7.87,-9.67,;-6.63,-10.58,;-5.41,-9.6,;-3.89,-10.12,;-2.54,-9.36,;-3.91,-11.66,;-5.26,-12.4,;-5.27,-13.94,;-6.68,-14.3,;-8.02,-13.8,;-9.23,-15.09,;-7.71,-14.66,;-6.29,-15.23,;-7.72,-13.07,;-6.67,-11.82,;-8.03,-12.3,)| Show InChI InChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317208
(CHEMBL1088115 | N-(adamantan-2-yl)-2-[cyclohexyl(e...)Show SMILES CCN(CC(=O)NC1C2CC3CC(C2)CC1C3)C1CCCCC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:6:7:11.12.14:16,7:8:11:14.15.16,7:15:11:9.13.8,(27.37,5.32,;27.37,3.78,;28.7,3,;28.71,1.46,;30.04,.69,;31.38,1.46,;30.04,-.85,;28.7,-1.62,;28.7,-3.14,;27.29,-3.49,;25.97,-3.01,;24.77,-4.28,;26.26,-3.86,;27.67,-4.42,;26.25,-2.27,;27.3,-1.05,;25.96,-1.52,;30.04,3.78,;31.38,3.01,;32.71,3.78,;32.71,5.31,;31.38,6.08,;30.04,5.31,)| Show InChI InChI=1S/C20H34N2O/c1-2-22(18-6-4-3-5-7-18)13-19(23)21-20-16-9-14-8-15(11-16)12-17(20)10-14/h14-18,20H,2-13H2,1H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317216
((2R)-N-(adamantan-2-yl)-1-(cyclohexylmethyl)pyrrol...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(18.88,-25.64,;17.53,-26.39,;17.51,-27.93,;16.16,-28.68,;16.15,-30.21,;14.75,-30.56,;13.41,-30.07,;12.22,-31.35,;13.72,-30.92,;15.13,-31.49,;13.71,-29.34,;14.76,-28.1,;13.4,-28.58,;16.02,-25.88,;14.81,-26.86,;13.57,-25.95,;14.04,-24.49,;15.57,-24.48,;16.47,-23.23,;15.7,-21.89,;16.48,-20.57,;15.71,-19.24,;14.17,-19.23,;13.4,-20.56,;14.17,-21.9,)| Show InChI InChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317218
((2R)-N-(adamantan-2-yl)-1-(3,3,3-trifluoropropyl)p...)Show SMILES FC(F)(F)CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(-5.42,-32.99,;-4.79,-34.4,;-3.25,-34.55,;-4.03,-33.05,;-5.69,-35.65,;-5.05,-37.05,;-5.95,-38.3,;-7.48,-38.31,;-7.95,-39.77,;-6.71,-40.68,;-5.5,-39.7,;-3.99,-40.21,;-2.65,-39.46,;-4.02,-41.75,;-5.36,-42.5,;-5.37,-44.03,;-6.77,-44.38,;-8.11,-43.89,;-9.31,-45.17,;-7.8,-44.74,;-6.39,-45.31,;-7.81,-43.16,;-6.76,-41.92,;-8.12,-42.4,)| Show InChI InChI=1S/C18H27F3N2O/c19-18(20,21)3-5-23-4-1-2-15(23)17(24)22-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10H2,(H,22,24)/t11?,12?,13?,14?,15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317222
((2R)-N-(adamantan-2-yl)-1-(2-hydroxyethyl)pyrrolid...)Show SMILES OCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(-3.11,5.86,;-3.88,4.52,;-5.43,4.52,;-6.21,3.18,;-7.75,3.17,;-8.21,1.7,;-6.97,.79,;-5.75,1.77,;-4.23,1.26,;-2.88,2.01,;-4.26,-.28,;-5.6,-1.03,;-5.61,-2.57,;-7.02,-2.92,;-8.36,-2.43,;-9.57,-3.71,;-8.06,-3.29,;-6.63,-3.86,;-8.06,-1.69,;-7.01,-.44,;-8.38,-.93,)| Show InChI InChI=1S/C17H28N2O2/c20-5-4-19-3-1-2-15(19)17(21)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16,20H,1-10H2,(H,18,21)/t11?,12?,13?,14?,15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29860
(N-(Pyridin-2-yl) arylsulfonamide, 22)Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H15N3O2S/c1-14-3-2-4-19(21-14)22-25(23,24)18-11-9-17(10-12-18)16-7-5-15(13-20)6-8-16/h2-12H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | -47.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29866
(N-(Pyridin-2-yl) arylsulfonamide, 28)Show SMILES CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | -47.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317210
((2R)-N-(adamantan-2-yl)-1-methylpyrrolidine-2-carb...)Show SMILES CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:5.6,TLB:15:14:18:11.10.9,15:10:13.14.16:18,THB:8:9:13.14.16:18,9:10:13:16.17.18,9:17:13:11.15.10,(-4.95,-6.94,;-5.86,-8.19,;-7.4,-8.21,;-7.87,-9.67,;-6.63,-10.58,;-5.41,-9.6,;-3.89,-10.12,;-2.54,-9.36,;-3.91,-11.66,;-5.26,-12.4,;-5.27,-13.94,;-6.68,-14.3,;-8.02,-13.8,;-9.23,-15.09,;-7.71,-14.66,;-6.29,-15.23,;-7.72,-13.07,;-6.67,-11.82,;-8.03,-12.3,)| Show InChI InChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29858
(N-(Pyridin-2-yl) arylsulfonamide, 20)Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H15ClN2O2S/c1-13-3-2-4-18(20-13)21-24(22,23)17-11-7-15(8-12-17)14-5-9-16(19)10-6-14/h2-12H,1H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.80 | -46.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317219
((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...)Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(2.87,-33.68,;3.64,-35.01,;5.18,-35.02,;5.94,-36.36,;5.16,-37.69,;5.93,-39.03,;5.02,-40.28,;3.49,-40.29,;3.03,-41.75,;4.27,-42.66,;5.48,-41.68,;6.99,-42.19,;8.34,-41.44,;6.96,-43.73,;5.62,-44.48,;5.61,-46.01,;4.21,-46.36,;2.87,-45.87,;1.67,-47.15,;3.18,-46.72,;4.59,-47.29,;3.17,-45.14,;4.22,-43.9,;2.86,-44.38,;3.63,-37.69,;2.86,-36.35,)| Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29861
(N-(Pyridin-2-yl) arylsulfonamide, 23)Show SMILES CCc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H17N3O2S/c1-2-18-4-3-5-20(22-18)23-26(24,25)19-12-10-17(11-13-19)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | -46.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317212
((2R)-N-(adamantan-2-yl)-1-(propan-2-yl)pyrrolidine...)Show SMILES CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(12.99,-6.92,;13.62,-8.33,;15.15,-8.49,;12.71,-9.58,;11.18,-9.59,;10.72,-11.05,;11.95,-11.95,;13.17,-10.98,;14.67,-11.49,;16.02,-10.74,;14.65,-13.03,;13.3,-13.78,;13.3,-15.31,;11.9,-15.66,;10.56,-15.17,;9.36,-16.45,;10.87,-16.02,;12.28,-16.59,;10.86,-14.44,;11.9,-13.19,;10.55,-13.68,)| Show InChI InChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29865
(N-(Pyridin-2-yl) arylsulfonamide, 27)Show SMILES CNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H16N4O2S/c1-21-18-3-2-4-19(22-18)23-26(24,25)17-11-9-16(10-12-17)15-7-5-14(13-20)6-8-15/h2-12H,1H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80 | -45.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317207
(CHEMBL1088517 | N-cyclohexyl-2-(7,8-dihydro-4H-iso...)Show InChI InChI=1S/C17H27N3O2/c1-2-20(15-6-4-3-5-7-15)17(21)12-19-10-8-14-13-22-18-16(14)9-11-19/h13,15H,2-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317224
((2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrroli...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(16.19,2.36,;14.84,1.61,;14.82,.07,;13.47,-.68,;13.46,-2.21,;12.06,-2.57,;10.72,-2.07,;9.51,-3.36,;11.02,-2.93,;12.44,-3.5,;11.01,-1.34,;12.06,-.09,;10.7,-.58,;13.33,2.12,;12.11,1.14,;10.87,2.05,;11.33,3.52,;12.87,3.53,;13.64,4.87,;15.19,4.87,;15.96,3.52,;17.5,3.52,;18.28,4.86,;17.51,6.2,;15.96,6.21,)| Show InChI InChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317225
((2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclopentyl)m...)Show SMILES OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(25.94,3.33,;26.11,4.86,;24.57,4.88,;23.67,3.63,;22.13,3.6,;21.67,2.14,;22.91,1.24,;24.13,2.22,;25.64,1.7,;26.99,2.46,;25.61,.16,;24.26,-.58,;24.25,-2.12,;22.86,-2.47,;21.51,-1.98,;20.31,-3.26,;21.82,-2.83,;23.24,-3.4,;21.81,-1.25,;22.86,-0,;21.5,-.49,;25.97,6.39,;27.38,7.01,;28.41,5.86,;27.63,4.53,)| Show InChI InChI=1S/C21H34N2O2/c24-20(18-4-3-7-23(18)13-21(25)5-1-2-6-21)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h14-19,25H,1-13H2,(H,22,24)/t14?,15?,16?,17?,18-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29857
(N-(Pyridin-2-yl) arylsulfonamide, 19)Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2)n1 Show InChI InChI=1S/C18H15FN2O2S/c1-13-3-2-4-18(20-13)21-24(22,23)17-11-7-15(8-12-17)14-5-9-16(19)10-6-14/h2-12H,1H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | -43.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317217
((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...)Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:9.10,TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:12:13:17.18.20:22,13:14:17:20.21.22,13:21:17:15.19.14,(27.97,-20.63,;27.2,-21.96,;25.66,-21.96,;26.42,-20.62,;27.97,-23.29,;27.07,-24.54,;25.53,-24.56,;25.07,-26.02,;26.31,-26.92,;27.52,-25.95,;29.03,-26.46,;30.37,-25.71,;29,-28,;27.66,-28.74,;27.65,-30.27,;26.25,-30.63,;24.91,-30.13,;23.71,-31.41,;25.22,-30.99,;26.63,-31.56,;25.21,-29.4,;26.26,-28.16,;24.9,-28.65,)| Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 35.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317223
((2R)-N-(adamantan-2-yl)-1-(pyridin-2-yl)pyrrolidin...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(6.04,2.3,;4.69,1.55,;4.66,.01,;3.32,-.73,;3.31,-2.26,;1.91,-2.62,;.57,-2.12,;-.63,-3.4,;.88,-2.98,;2.29,-3.54,;.87,-1.39,;1.92,-.15,;.56,-.63,;3.18,2.06,;1.97,1.09,;.73,1.99,;1.2,3.45,;2.72,3.47,;4.03,4.27,;4,5.82,;5.31,6.62,;6.67,5.87,;6.7,4.35,;5.39,3.54,)| Show InChI InChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317226
((2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclohexyl)me...)Show SMILES OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(-3.5,-9.88,;-3.33,-8.35,;-4.87,-8.34,;-5.77,-9.59,;-7.3,-9.61,;-7.77,-11.07,;-6.53,-11.97,;-5.31,-10.99,;-3.8,-11.51,;-2.45,-10.75,;-3.83,-13.05,;-5.18,-13.79,;-5.19,-15.33,;-6.59,-15.69,;-7.93,-15.19,;-9.13,-16.47,;-7.62,-16.05,;-6.2,-16.61,;-7.63,-14.46,;-6.58,-13.21,;-7.94,-13.7,;-2.01,-9.12,;-.66,-8.36,;-.66,-6.82,;-1.99,-6.04,;-3.32,-6.81,)| Show InChI InChI=1S/C22H36N2O2/c25-21(23-20-17-10-15-9-16(12-17)13-18(20)11-15)19-5-4-8-24(19)14-22(26)6-2-1-3-7-22/h15-20,26H,1-14H2,(H,23,25)/t15?,16?,17?,18?,19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29856
(N-(Pyridin-2-yl) arylsulfonamide, 18)Show InChI InChI=1S/C18H16N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 48 | -41.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29859
(N-(Pyridin-2-yl) arylsulfonamide, 21)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H18N2O2S/c1-14-6-8-16(9-7-14)17-10-12-18(13-11-17)24(22,23)21-19-5-3-4-15(2)20-19/h3-13H,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 62 | -40.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29854
(N-(Pyridin-2-yl) arylsulfonamide, 16)Show InChI InChI=1S/C16H14N2O2S/c1-12-5-4-8-16(17-12)18-21(19,20)15-10-9-13-6-2-3-7-14(13)11-15/h2-11H,1H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 84 | -40.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29850
(N-(Pyridin-2-yl) arylsulfonamide, 12)Show InChI InChI=1S/C13H11F3N2O2S/c1-9-3-2-4-12(17-9)18-21(19,20)11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 108 | -39.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29843
(N-(Pyridin-2-yl) arylsulfonamide, 3)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCCC2)n1 Show InChI InChI=1S/C19H22ClN3O3S/c1-14-16(20)8-6-9-17(14)27(25,26)22-18-10-5-7-15(21-18)13-19(24)23-11-3-2-4-12-23/h5-10H,2-4,11-13H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 169 | -38.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29849
(N-(Pyridin-2-yl) arylsulfonamide, 11)Show InChI InChI=1S/C13H13ClN2O2S/c1-9-5-3-8-13(15-9)16-19(17,18)12-7-4-6-11(14)10(12)2/h3-8H,1-2H3,(H,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 169 | -38.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317221
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317206
((3-Phenyl-adamantan-1-yl)-piperidin-1-yl-methanone...)Show SMILES O=C(N1CCCCC1)C12CC3CC(C1)CC(C3)(C2)c1ccccc1 |TLB:13:8:16:14.12.11,1:8:16:14.12.11,1:8:16.15.14:11,THB:18:15:11:9.8.13,17:15:11:9.8.13,17:8:16.15.14:11,13:12:16:9.17.8| Show InChI InChI=1S/C22H29NO/c24-20(23-9-5-2-6-10-23)22-14-17-11-18(15-22)13-21(12-17,16-22)19-7-3-1-4-8-19/h1,3-4,7-8,17-18H,2,5-6,9-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29841
(N-(Pyridin-2-yl) arylsulfonamide, 1)Show SMILES CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 287 | -37.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50317206
((3-Phenyl-adamantan-1-yl)-piperidin-1-yl-methanone...)Show SMILES O=C(N1CCCCC1)C12CC3CC(C1)CC(C3)(C2)c1ccccc1 |TLB:13:8:16:14.12.11,1:8:16:14.12.11,1:8:16.15.14:11,THB:18:15:11:9.8.13,17:15:11:9.8.13,17:8:16.15.14:11,13:12:16:9.17.8| Show InChI InChI=1S/C22H29NO/c24-20(23-9-5-2-6-10-23)22-14-17-11-18(15-22)13-21(12-17,16-22)19-7-3-1-4-8-19/h1,3-4,7-8,17-18H,2,5-6,9-16H2 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of 11-beta-HSD2 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317213
((2R)-N-(adamantan-2-yl)-1-(cyclopentylmethyl)pyrro...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(25.66,-12.64,;24.31,-13.39,;24.29,-14.93,;22.94,-15.67,;22.93,-17.2,;21.53,-17.56,;20.2,-17.06,;19,-18.34,;20.5,-17.92,;21.92,-18.49,;20.5,-16.33,;21.54,-15.09,;20.18,-15.58,;22.8,-12.88,;21.59,-13.85,;20.36,-12.95,;20.82,-11.49,;22.35,-11.47,;23.25,-10.22,;22.62,-8.82,;23.38,-7.49,;22.34,-6.35,;20.94,-6.98,;21.1,-8.51,)| Show InChI InChI=1S/C21H34N2O/c24-21(19-6-3-7-23(19)13-14-4-1-2-5-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317214
((2R)-N-(adamantan-2-yl)-1-(2-methylpropyl)pyrrolid...)Show SMILES CC(C)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:8.9,TLB:18:17:21:14.13.12,18:13:16.17.19:21,THB:11:12:16.17.19:21,12:13:16:19.20.21,12:20:16:14.18.13,(-4.2,-19.79,;-5.1,-21.04,;-6.63,-20.89,;-4.46,-22.45,;-5.36,-23.69,;-6.89,-23.71,;-7.36,-25.17,;-6.12,-26.07,;-4.91,-25.1,;-3.4,-25.61,;-2.05,-24.86,;-3.42,-27.15,;-4.77,-27.89,;-4.78,-29.42,;-6.18,-29.78,;-7.52,-29.28,;-8.71,-30.56,;-7.21,-30.14,;-5.8,-30.71,;-7.22,-28.56,;-6.17,-27.31,;-7.53,-27.8,)| Show InChI InChI=1S/C19H32N2O/c1-12(2)11-21-5-3-4-17(21)19(22)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h12-18H,3-11H2,1-2H3,(H,20,22)/t13?,14?,15?,16?,17-,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317215
((2R)-N-(adamantan-2-yl)-1-(cyclobutylmethyl)pyrrol...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(8.45,-25.87,;7.1,-26.62,;7.08,-28.16,;5.73,-28.91,;5.72,-30.44,;4.32,-30.8,;2.98,-30.3,;1.78,-31.58,;3.29,-31.16,;4.7,-31.73,;3.28,-29.57,;4.33,-28.33,;2.97,-28.81,;5.59,-26.11,;4.38,-27.09,;3.14,-26.18,;3.6,-24.72,;5.13,-24.71,;6.04,-23.46,;5.4,-22.05,;5.96,-20.61,;4.51,-20.07,;3.97,-21.51,)| Show InChI InChI=1S/C20H32N2O/c23-20(18-5-2-6-22(18)12-13-3-1-4-13)21-19-16-8-14-7-15(10-16)11-17(19)9-14/h13-19H,1-12H2,(H,21,23)/t14?,15?,16?,17?,18-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317220
((2R)-N-(adamantan-2-yl)-1-[(4-cyanophenyl)methyl]p...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(cc1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(18.7,-42.55,;17.36,-43.3,;17.33,-44.84,;15.99,-45.59,;15.98,-47.12,;14.58,-47.47,;13.24,-46.98,;12.04,-48.26,;13.55,-47.83,;14.96,-48.4,;13.54,-46.25,;14.59,-45.01,;13.23,-45.49,;15.85,-42.79,;14.64,-43.77,;13.4,-42.86,;13.87,-41.4,;15.4,-41.39,;16.3,-40.14,;15.53,-38.8,;16.31,-37.47,;15.55,-36.14,;14.01,-36.13,;13.23,-37.47,;14,-38.8,;13.24,-34.79,;12.48,-33.46,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-5-16(6-4-15)14-26-7-1-2-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h3-6,17-22H,1-2,7-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317226
((2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclohexyl)me...)Show SMILES OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(-3.5,-9.88,;-3.33,-8.35,;-4.87,-8.34,;-5.77,-9.59,;-7.3,-9.61,;-7.77,-11.07,;-6.53,-11.97,;-5.31,-10.99,;-3.8,-11.51,;-2.45,-10.75,;-3.83,-13.05,;-5.18,-13.79,;-5.19,-15.33,;-6.59,-15.69,;-7.93,-15.19,;-9.13,-16.47,;-7.62,-16.05,;-6.2,-16.61,;-7.63,-14.46,;-6.58,-13.21,;-7.94,-13.7,;-2.01,-9.12,;-.66,-8.36,;-.66,-6.82,;-1.99,-6.04,;-3.32,-6.81,)| Show InChI InChI=1S/C22H36N2O2/c25-21(23-20-17-10-15-9-16(12-17)13-18(20)11-15)19-5-4-8-24(19)14-22(26)6-2-1-3-7-22/h15-20,26H,1-14H2,(H,23,25)/t15?,16?,17?,18?,19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
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