Found 60 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445575
(CHEMBL3103523)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(34.73,-27.29,;33.44,-28.14,;33.42,-29.67,;32.02,-30.02,;30.7,-29.53,;30.69,-28.04,;32.04,-27.56,;30.99,-28.8,;31,-30.39,;32.42,-30.95,;29.5,-30.81,;28.16,-30.01,;26.81,-30.76,;25.32,-30.33,;24.46,-31.61,;25.42,-32.83,;26.87,-32.3,;29.49,-32.35,;28.15,-33.1,;28.14,-34.64,;29.47,-35.42,;30.81,-34.65,;30.81,-33.11,;29.46,-36.96,;28.12,-37.72,;28.11,-39.26,;29.44,-40.04,;30.79,-39.27,;30.79,-37.73,;32.13,-36.96,)| Show InChI InChI=1S/C24H25FN4O/c25-21-4-2-1-3-20(21)14-5-7-17(8-6-14)24(13-22-26-28-29-27-22)18-9-15-10-19(24)12-16(11-18)23(15)30/h1-8,15-16,18-19,23,30H,9-13H2,(H,26,27,28,29) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445576
(CHEMBL3103439)Show SMILES COC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:16:15:7:5.4.3,18:8:5.16.4:17.2.7,18:8:7:5.4.3,1:2:8:5.16.4,THB:16:4:8.15.17:7,3:4:8:17.2.7,3:2:8:5.16.4,9:8:5.16.4:17.2.7,9:8:7:5.4.3,(54.65,3.84,;53.31,3.05,;53.32,1.51,;54.73,.93,;54.71,-.61,;53.31,-.96,;51.99,-.47,;51.98,1.02,;50.79,-1.75,;49.45,-.95,;48.1,-1.7,;46.61,-1.27,;45.75,-2.55,;46.71,-3.77,;48.16,-3.24,;52.29,-1.33,;53.7,-1.89,;52.28,.27,;50.78,-3.28,;49.44,-4.04,;49.43,-5.57,;50.76,-6.35,;52.1,-5.58,;52.1,-4.05,;50.75,-7.89,;49.41,-8.66,;49.4,-10.2,;50.73,-10.98,;52.08,-10.2,;52.08,-8.66,)| Show InChI InChI=1S/C25H28N4O/c1-30-24-13-17-11-21(14-24)25(22(12-17)15-24,16-23-26-28-29-27-23)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,17,21-22H,11-16H2,1H3,(H,26,27,28,29) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445574
(CHEMBL3103525)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(55.6,-25.2,;54.31,-26.05,;54.29,-27.58,;52.89,-27.93,;51.57,-27.44,;51.56,-25.95,;52.9,-25.47,;51.86,-26.71,;51.87,-28.3,;53.28,-28.86,;50.37,-28.72,;49.03,-27.92,;47.68,-28.67,;46.19,-28.24,;45.33,-29.52,;46.29,-30.74,;47.74,-30.21,;50.36,-30.26,;49.02,-31.01,;49.01,-32.55,;50.33,-33.32,;51.67,-32.56,;51.68,-31.02,;50.33,-34.86,;48.99,-35.63,;48.98,-37.17,;50.31,-37.95,;51.66,-37.18,;51.66,-35.64,;50.31,-39.49,;48.97,-40.26,;51.64,-40.27,;50.3,-41.03,)| Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-7-3-15(4-8-19)14-1-5-18(6-2-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445573
(CHEMBL3103524)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:23:22:13.24.25:27,10:13:21.23.22:25.26.27,14:13:27:21.22.28,THB:29:28:13.24.25:27,23:24:27:21.22.28,28:22:13:25.26.27,28:26:13:21.23.22,10:13:27:21.22.28,14:13:21.23.22:25.26.27,(40.11,-41.92,;40.12,-40.38,;38.79,-39.6,;38.79,-38.05,;40.14,-37.29,;41.47,-38.06,;41.46,-39.6,;40.14,-35.75,;38.82,-34.97,;38.83,-33.44,;40.17,-32.68,;41.49,-33.45,;41.48,-34.98,;40.18,-31.14,;38.84,-30.34,;37.49,-31.09,;36,-30.67,;35.14,-31.95,;36.09,-33.16,;37.54,-32.63,;41.38,-29.86,;42.7,-30.36,;44.1,-30.01,;43.09,-31.29,;41.67,-30.72,;41.67,-29.14,;42.71,-27.9,;41.37,-28.38,;44.12,-28.48,;45.41,-27.63,)| Show InChI InChI=1S/C25H28N4O/c1-15-2-4-16(5-3-15)17-6-8-20(9-7-17)25(14-23-26-28-29-27-23)21-10-18-11-22(25)13-19(12-21)24(18)30/h2-9,18-19,21-22,24,30H,10-14H2,1H3,(H,26,27,28,29) | 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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445571
(CHEMBL3103437)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| Show InChI InChI=1S/C24H26N4/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)24(15-23-25-27-28-26-23)21-11-16-10-17(13-21)14-22(24)12-16/h1-9,16-17,21-22H,10-15H2,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445570
(CHEMBL3103429)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(cc1)C#N |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(37.55,-36.73,;36.27,-37.58,;36.25,-39.12,;34.85,-39.46,;33.52,-38.97,;33.52,-37.48,;34.86,-37,;33.82,-38.24,;33.82,-39.83,;35.24,-40.4,;32.32,-40.25,;30.98,-39.45,;29.64,-40.2,;28.15,-39.78,;27.29,-41.06,;28.24,-42.27,;29.69,-41.74,;32.31,-41.79,;30.97,-42.54,;30.96,-44.08,;32.29,-44.86,;33.63,-44.09,;33.63,-42.56,;32.29,-46.4,;30.94,-47.16,;30.93,-48.7,;32.27,-49.48,;33.61,-48.71,;33.61,-47.17,;32.27,-51.03,;32.26,-52.57,)| Show InChI InChI=1S/C25H25N5O/c26-14-15-1-3-16(4-2-15)17-5-7-20(8-6-17)25(13-23-27-29-30-28-23)21-9-18-10-22(25)12-19(11-21)24(18)31/h1-8,18-19,21-22,24,31H,9-13H2,(H,27,28,29,30) | 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445569
(CHEMBL3103522)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(F)c1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(24.06,-26.88,;22.77,-27.73,;22.75,-29.26,;21.35,-29.61,;20.03,-29.12,;20.02,-27.63,;21.36,-27.15,;20.32,-28.39,;20.32,-29.98,;21.74,-30.54,;18.82,-30.4,;17.49,-29.6,;16.14,-30.35,;14.65,-29.92,;13.79,-31.2,;14.74,-32.42,;16.19,-31.89,;18.82,-31.94,;17.47,-32.69,;17.46,-34.23,;18.79,-35.01,;20.13,-34.24,;20.14,-32.7,;18.79,-36.55,;17.44,-37.31,;17.43,-38.85,;18.77,-39.63,;20.11,-38.86,;21.45,-39.63,;20.12,-37.32,)| Show InChI InChI=1S/C24H25FN4O/c25-21-3-1-2-15(12-21)14-4-6-18(7-5-14)24(13-22-26-28-29-27-22)19-8-16-9-20(24)11-17(10-19)23(16)30/h1-7,12,16-17,19-20,23,30H,8-11,13H2,(H,26,27,28,29) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445568
(CHEMBL3103438)Show SMILES OC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:15:14:6:4.3.2,17:7:4.15.3:16.1.6,17:7:6:4.3.2,0:1:7:4.15.3,THB:15:3:7.14.16:6,2:3:7:16.1.6,2:1:7:4.15.3,8:7:4.15.3:16.1.6,8:7:6:4.3.2,(41.37,2.14,;41.38,.6,;42.79,.02,;42.77,-1.52,;41.37,-1.87,;40.05,-1.38,;40.04,.11,;38.85,-2.66,;37.51,-1.86,;36.16,-2.61,;34.68,-2.18,;33.82,-3.46,;34.77,-4.68,;36.22,-4.15,;40.35,-2.24,;41.76,-2.8,;40.34,-.65,;38.84,-4.2,;37.5,-4.95,;37.49,-6.49,;38.82,-7.26,;40.16,-6.5,;40.16,-4.96,;38.81,-8.8,;37.47,-9.57,;37.46,-11.11,;38.79,-11.89,;40.14,-11.12,;40.14,-9.58,)| Show InChI InChI=1S/C24H26N4O/c29-23-12-16-10-20(13-23)24(21(11-16)14-23,15-22-25-27-28-26-22)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,16,20-21,29H,10-15H2,(H,25,26,27,28) | 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445567
(CHEMBL3103427)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(68.53,-28.08,;67.25,-28.93,;67.23,-30.46,;65.83,-30.81,;64.5,-30.32,;64.5,-28.83,;65.84,-28.35,;64.8,-29.59,;64.8,-31.18,;66.22,-31.75,;63.3,-31.6,;61.96,-30.8,;60.62,-31.55,;59.13,-31.12,;58.27,-32.41,;59.22,-33.62,;60.67,-33.09,;63.29,-33.14,;61.95,-33.89,;61.94,-35.43,;63.27,-36.21,;64.61,-35.44,;64.61,-33.91,;63.27,-37.75,;61.92,-38.51,;61.91,-40.05,;63.25,-40.83,;64.59,-40.06,;64.59,-38.52,;65.93,-40.83,;65.93,-42.38,;67.27,-40.06,;67.26,-41.6,)| Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-3-1-2-15(8-19)14-4-6-18(7-5-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445566
(CHEMBL3103428)Show SMILES COc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:24:23:14.25.26:28,11:14:22.24.23:26.27.28,15:14:28:22.23.29,THB:30:29:14.25.26:28,24:25:28:22.23.29,29:23:14:26.27.28,29:27:14:22.24.23,11:14:28:22.23.29,15:14:22.24.23:26.27.28,(5.06,-52.22,;6.4,-51.45,;6.4,-49.91,;5.07,-49.13,;5.08,-47.59,;6.42,-46.82,;7.75,-47.59,;7.75,-49.13,;6.43,-45.28,;5.1,-44.5,;5.11,-42.97,;6.45,-42.21,;7.77,-42.98,;7.77,-44.51,;6.46,-40.67,;5.12,-39.87,;3.77,-40.62,;2.28,-40.2,;1.42,-41.48,;2.38,-42.7,;3.83,-42.16,;7.66,-39.39,;8.98,-39.89,;10.38,-39.54,;9.37,-40.82,;7.96,-40.25,;7.95,-38.67,;8.99,-37.43,;7.65,-37.91,;10.4,-38.01,;11.69,-37.16,)| Show InChI InChI=1S/C25H28N4O2/c1-31-22-8-4-16(5-9-22)15-2-6-19(7-3-15)25(14-23-26-28-29-27-23)20-10-17-11-21(25)13-18(12-20)24(17)30/h2-9,17-18,20-21,24,30H,10-14H2,1H3,(H,26,27,28,29) | 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445565
(CHEMBL3103521)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(11.94,-22.46,;10.65,-23.31,;10.63,-24.84,;9.23,-25.19,;7.91,-24.7,;7.9,-23.21,;9.25,-22.73,;8.2,-23.97,;8.21,-25.55,;9.63,-26.12,;6.71,-25.98,;5.37,-25.17,;4.02,-25.93,;2.53,-25.5,;1.67,-26.78,;2.63,-28,;4.08,-27.47,;6.7,-27.51,;5.36,-28.27,;5.35,-29.8,;6.68,-30.58,;8.02,-29.81,;8.02,-28.28,;6.67,-32.12,;5.33,-32.89,;5.32,-34.43,;6.65,-35.21,;6.65,-36.76,;8,-34.44,;8,-32.9,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50356333
(CHEMBL1362332)Show SMILES OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:14:4:7.6.13:9.10.11,13:12:10:7.6.8,THB:14:4:10:7.6.8,13:7:10:4.12.11,3:4:7.6.13:9.10.11,8:7:4:9.10.11,8:9:4:7.6.13,(-3.97,.7,;-2.43,.85,;-1.8,2.25,;-1.54,-.41,;-0,-.26,;1.37,.44,;1.37,1.84,;2.21,3.31,;3.58,2.61,;3.58,1.22,;2.74,-.26,;2.21,.52,;.83,1.22,;.83,2.61,;-.23,-1.78,;.98,-2.73,;.76,-4.26,;-.67,-4.83,;-.89,-6.35,;-1.88,-3.88,;-1.66,-2.35,)| Show InChI InChI=1S/C18H21FO2/c19-16-3-1-13(2-4-16)18(10-17(20)21)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445583
(CHEMBL3103430)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccncc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(50.71,-36.68,;49.42,-37.53,;49.4,-39.07,;48,-39.41,;46.67,-38.92,;46.67,-37.43,;48.01,-36.95,;46.97,-38.19,;46.97,-39.78,;48.39,-40.35,;45.47,-40.2,;44.13,-39.4,;42.78,-40.15,;41.29,-39.73,;40.43,-41.01,;41.39,-42.23,;42.84,-41.69,;45.46,-41.74,;44.12,-42.5,;44.11,-44.03,;45.44,-44.81,;46.78,-44.04,;46.78,-42.51,;45.43,-46.35,;44.09,-47.12,;44.08,-48.66,;45.42,-49.44,;46.76,-48.67,;46.76,-47.13,)| Show InChI InChI=1S/C23H25N5O/c29-22-16-9-19-11-17(22)12-20(10-16)23(19,13-21-25-27-28-26-21)18-3-1-14(2-4-18)15-5-7-24-8-6-15/h1-8,16-17,19-20,22,29H,9-13H2,(H,25,26,27,28) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445582
(CHEMBL3102864)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:26:25:16.27.28:30,13:16:24.26.25:28.29.30,17:16:30:24.25.31,THB:32:31:16.27.28:30,26:27:30:24.25.31,31:25:16:28.29.30,31:29:16:24.26.25,13:16:30:24.25.31,17:16:24.26.25:28.29.30,(17.97,-51.27,;19.31,-50.5,;20.08,-51.83,;20.86,-50.49,;19.32,-48.96,;17.98,-48.18,;17.99,-46.63,;19.34,-45.87,;20.67,-46.64,;20.67,-48.18,;19.34,-44.33,;18.02,-43.55,;18.03,-42.02,;19.37,-41.26,;20.69,-42.03,;20.68,-43.56,;19.38,-39.72,;18.04,-38.92,;16.69,-39.67,;15.2,-39.25,;14.34,-40.53,;15.29,-41.74,;16.74,-41.21,;20.58,-38.44,;21.9,-38.93,;23.3,-38.59,;22.29,-39.87,;20.87,-39.3,;20.87,-37.71,;21.91,-36.47,;20.57,-36.95,;23.32,-37.05,;24.61,-36.2,)| Show InChI InChI=1S/C25H28N4O3S/c1-33(31,32)22-8-4-16(5-9-22)15-2-6-19(7-3-15)25(14-23-26-28-29-27-23)20-10-17-11-21(25)13-18(12-20)24(17)30/h2-9,17-18,20-21,24,30H,10-14H2,1H3,(H,26,27,28,29) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445581
(CHEMBL3103520)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(Oc2ccccc2)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(71.43,-13.18,;70.14,-14.03,;70.12,-15.56,;68.72,-15.91,;67.4,-15.42,;67.39,-13.93,;68.73,-13.45,;67.69,-14.69,;67.69,-16.27,;69.11,-16.84,;66.2,-16.69,;64.86,-15.89,;63.51,-16.64,;62.02,-16.22,;61.16,-17.5,;62.11,-18.72,;63.56,-18.18,;66.19,-18.23,;64.85,-18.99,;64.84,-20.52,;66.16,-21.3,;66.15,-22.84,;64.81,-23.61,;63.49,-22.83,;62.15,-23.59,;62.14,-25.14,;63.48,-25.92,;64.82,-25.15,;67.5,-20.53,;67.51,-19,)| Show InChI InChI=1S/C24H26N4O2/c29-23-15-10-18-12-16(23)13-19(11-15)24(18,14-22-25-27-28-26-22)17-6-8-21(9-7-17)30-20-4-2-1-3-5-20/h1-9,15-16,18-19,23,29H,10-14H2,(H,25,26,27,28) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445581
(CHEMBL3103520)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(Oc2ccccc2)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(71.43,-13.18,;70.14,-14.03,;70.12,-15.56,;68.72,-15.91,;67.4,-15.42,;67.39,-13.93,;68.73,-13.45,;67.69,-14.69,;67.69,-16.27,;69.11,-16.84,;66.2,-16.69,;64.86,-15.89,;63.51,-16.64,;62.02,-16.22,;61.16,-17.5,;62.11,-18.72,;63.56,-18.18,;66.19,-18.23,;64.85,-18.99,;64.84,-20.52,;66.16,-21.3,;66.15,-22.84,;64.81,-23.61,;63.49,-22.83,;62.15,-23.59,;62.14,-25.14,;63.48,-25.92,;64.82,-25.15,;67.5,-20.53,;67.51,-19,)| Show InChI InChI=1S/C24H26N4O2/c29-23-15-10-18-12-16(23)13-19(11-15)24(18,14-22-25-27-28-26-22)17-6-8-21(9-7-17)30-20-4-2-1-3-5-20/h1-9,15-16,18-19,23,29H,10-14H2,(H,25,26,27,28) | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445580
(CHEMBL3103434)Show SMILES Fc1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC(C2)CC1C3 |TLB:22:21:19:15.16.17,4:7:19:15.16.17,8:7:15.22.16:20.18.19,THB:22:16:7.21.20:19,17:16:7:20.18.19,17:18:7:15.22.16,4:7:15.22.16:20.18.19,8:7:19:15.16.17,(10.18,-13.14,;10.19,-11.6,;8.86,-10.82,;8.87,-9.28,;10.21,-8.53,;11.53,-9.3,;11.53,-10.83,;10.22,-6.99,;8.88,-6.19,;7.53,-6.94,;6.13,-6.28,;5.07,-7.42,;5.83,-8.77,;7.34,-8.47,;11.42,-5.71,;12.75,-6.2,;14.15,-5.85,;14.17,-4.32,;12.76,-3.74,;11.42,-4.22,;11.72,-4.98,;11.72,-6.57,;13.14,-7.13,)| Show InChI InChI=1S/C18H21FN4/c19-16-3-1-13(2-4-16)18(10-17-20-22-23-21-17)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H,20,21,22,23) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445579
(CHEMBL3103435)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(6.07,-4.02,;4.72,-4.77,;4.78,-6.32,;3.32,-6.85,;2.37,-5.63,;3.23,-4.35,;7.41,-4.82,;8.61,-3.54,;9.94,-4.04,;11.34,-3.69,;11.36,-2.15,;9.95,-1.57,;8.6,-2.05,;8.91,-2.81,;8.91,-4.4,;10.33,-4.97,;7.4,-6.36,;6.06,-7.12,;6.05,-8.66,;7.38,-9.44,;8.72,-8.67,;8.72,-7.13,)| Show InChI InChI=1S/C18H22N4/c1-2-4-14(5-3-1)18(11-17-19-21-22-20-17)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-11H2,(H,19,20,21,22) | 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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445578
(CHEMBL3103431)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccnc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(45.07,-33.21,;43.78,-34.06,;43.77,-35.6,;42.37,-35.94,;41.04,-35.45,;41.03,-33.96,;42.38,-33.48,;41.33,-34.72,;41.34,-36.31,;42.76,-36.88,;39.84,-36.73,;38.5,-35.93,;37.15,-36.68,;35.66,-36.26,;34.8,-37.54,;35.76,-38.75,;37.21,-38.22,;39.83,-38.27,;38.49,-39.03,;38.48,-40.56,;39.81,-41.34,;41.15,-40.57,;41.15,-39.04,;39.8,-42.88,;38.46,-43.65,;38.45,-45.19,;39.78,-45.97,;41.13,-45.2,;41.13,-43.65,)| Show InChI InChI=1S/C23H25N5O/c29-22-16-8-19-10-17(22)11-20(9-16)23(19,12-21-25-27-28-26-21)18-5-3-14(4-6-18)15-2-1-7-24-13-15/h1-7,13,16-17,19-20,22,29H,8-12H2,(H,25,26,27,28) | 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 | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human HEK cells |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human HEK cells |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445577
(CHEMBL3103305)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)C#Cc1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(45.45,-12.98,;44.16,-13.83,;44.14,-15.35,;42.75,-15.7,;41.43,-15.21,;41.42,-13.73,;42.76,-13.25,;41.72,-14.48,;41.72,-16.07,;43.14,-16.63,;40.23,-16.49,;38.89,-15.69,;37.55,-16.44,;36.06,-16.01,;35.2,-17.29,;36.16,-18.5,;37.6,-17.97,;40.22,-18.02,;40.21,-19.56,;40.2,-21.1,;38.86,-21.86,;38.85,-23.4,;40.18,-24.18,;41.53,-23.41,;41.53,-21.87,)| Show InChI InChI=1S/C20H22N4O/c25-19-14-8-16-10-15(19)11-17(9-14)20(16,12-18-21-23-24-22-18)7-6-13-4-2-1-3-5-13/h1-5,14-17,19,25H,8-12H2,(H,21,22,23,24) | 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 | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445575
(CHEMBL3103523)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(34.73,-27.29,;33.44,-28.14,;33.42,-29.67,;32.02,-30.02,;30.7,-29.53,;30.69,-28.04,;32.04,-27.56,;30.99,-28.8,;31,-30.39,;32.42,-30.95,;29.5,-30.81,;28.16,-30.01,;26.81,-30.76,;25.32,-30.33,;24.46,-31.61,;25.42,-32.83,;26.87,-32.3,;29.49,-32.35,;28.15,-33.1,;28.14,-34.64,;29.47,-35.42,;30.81,-34.65,;30.81,-33.11,;29.46,-36.96,;28.12,-37.72,;28.11,-39.26,;29.44,-40.04,;30.79,-39.27,;30.79,-37.73,;32.13,-36.96,)| Show InChI InChI=1S/C24H25FN4O/c25-21-4-2-1-3-20(21)14-5-7-17(8-6-14)24(13-22-26-28-29-27-22)18-9-15-10-19(24)12-16(11-18)23(15)30/h1-8,15-16,18-19,23,30H,9-13H2,(H,26,27,28,29) | 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 | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445576
(CHEMBL3103439)Show SMILES COC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:16:15:7:5.4.3,18:8:5.16.4:17.2.7,18:8:7:5.4.3,1:2:8:5.16.4,THB:16:4:8.15.17:7,3:4:8:17.2.7,3:2:8:5.16.4,9:8:5.16.4:17.2.7,9:8:7:5.4.3,(54.65,3.84,;53.31,3.05,;53.32,1.51,;54.73,.93,;54.71,-.61,;53.31,-.96,;51.99,-.47,;51.98,1.02,;50.79,-1.75,;49.45,-.95,;48.1,-1.7,;46.61,-1.27,;45.75,-2.55,;46.71,-3.77,;48.16,-3.24,;52.29,-1.33,;53.7,-1.89,;52.28,.27,;50.78,-3.28,;49.44,-4.04,;49.43,-5.57,;50.76,-6.35,;52.1,-5.58,;52.1,-4.05,;50.75,-7.89,;49.41,-8.66,;49.4,-10.2,;50.73,-10.98,;52.08,-10.2,;52.08,-8.66,)| Show InChI InChI=1S/C25H28N4O/c1-30-24-13-17-11-21(14-24)25(22(12-17)15-24,16-23-26-28-29-27-23)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,17,21-22H,11-16H2,1H3,(H,26,27,28,29) | 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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445568
(CHEMBL3103438)Show SMILES OC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:15:14:6:4.3.2,17:7:4.15.3:16.1.6,17:7:6:4.3.2,0:1:7:4.15.3,THB:15:3:7.14.16:6,2:3:7:16.1.6,2:1:7:4.15.3,8:7:4.15.3:16.1.6,8:7:6:4.3.2,(41.37,2.14,;41.38,.6,;42.79,.02,;42.77,-1.52,;41.37,-1.87,;40.05,-1.38,;40.04,.11,;38.85,-2.66,;37.51,-1.86,;36.16,-2.61,;34.68,-2.18,;33.82,-3.46,;34.77,-4.68,;36.22,-4.15,;40.35,-2.24,;41.76,-2.8,;40.34,-.65,;38.84,-4.2,;37.5,-4.95,;37.49,-6.49,;38.82,-7.26,;40.16,-6.5,;40.16,-4.96,;38.81,-8.8,;37.47,-9.57,;37.46,-11.11,;38.79,-11.89,;40.14,-11.12,;40.14,-9.58,)| Show InChI InChI=1S/C24H26N4O/c29-23-12-16-10-20(13-23)24(21(11-16)14-23,15-22-25-27-28-26-22)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,16,20-21,29H,10-15H2,(H,25,26,27,28) | 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445573
(CHEMBL3103524)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:23:22:13.24.25:27,10:13:21.23.22:25.26.27,14:13:27:21.22.28,THB:29:28:13.24.25:27,23:24:27:21.22.28,28:22:13:25.26.27,28:26:13:21.23.22,10:13:27:21.22.28,14:13:21.23.22:25.26.27,(40.11,-41.92,;40.12,-40.38,;38.79,-39.6,;38.79,-38.05,;40.14,-37.29,;41.47,-38.06,;41.46,-39.6,;40.14,-35.75,;38.82,-34.97,;38.83,-33.44,;40.17,-32.68,;41.49,-33.45,;41.48,-34.98,;40.18,-31.14,;38.84,-30.34,;37.49,-31.09,;36,-30.67,;35.14,-31.95,;36.09,-33.16,;37.54,-32.63,;41.38,-29.86,;42.7,-30.36,;44.1,-30.01,;43.09,-31.29,;41.67,-30.72,;41.67,-29.14,;42.71,-27.9,;41.37,-28.38,;44.12,-28.48,;45.41,-27.63,)| Show InChI InChI=1S/C25H28N4O/c1-15-2-4-16(5-3-15)17-6-8-20(9-7-17)25(14-23-26-28-29-27-23)21-10-18-11-22(25)13-19(12-21)24(18)30/h2-9,18-19,21-22,24,30H,10-14H2,1H3,(H,26,27,28,29) | 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 | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445569
(CHEMBL3103522)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(F)c1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(24.06,-26.88,;22.77,-27.73,;22.75,-29.26,;21.35,-29.61,;20.03,-29.12,;20.02,-27.63,;21.36,-27.15,;20.32,-28.39,;20.32,-29.98,;21.74,-30.54,;18.82,-30.4,;17.49,-29.6,;16.14,-30.35,;14.65,-29.92,;13.79,-31.2,;14.74,-32.42,;16.19,-31.89,;18.82,-31.94,;17.47,-32.69,;17.46,-34.23,;18.79,-35.01,;20.13,-34.24,;20.14,-32.7,;18.79,-36.55,;17.44,-37.31,;17.43,-38.85,;18.77,-39.63,;20.11,-38.86,;21.45,-39.63,;20.12,-37.32,)| Show InChI InChI=1S/C24H25FN4O/c25-21-3-1-2-15(12-21)14-4-6-18(7-5-14)24(13-22-26-28-29-27-22)19-8-16-9-20(24)11-17(10-19)23(16)30/h1-7,12,16-17,19-20,23,30H,8-11,13H2,(H,26,27,28,29) | 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 | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445574
(CHEMBL3103525)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(55.6,-25.2,;54.31,-26.05,;54.29,-27.58,;52.89,-27.93,;51.57,-27.44,;51.56,-25.95,;52.9,-25.47,;51.86,-26.71,;51.87,-28.3,;53.28,-28.86,;50.37,-28.72,;49.03,-27.92,;47.68,-28.67,;46.19,-28.24,;45.33,-29.52,;46.29,-30.74,;47.74,-30.21,;50.36,-30.26,;49.02,-31.01,;49.01,-32.55,;50.33,-33.32,;51.67,-32.56,;51.68,-31.02,;50.33,-34.86,;48.99,-35.63,;48.98,-37.17,;50.31,-37.95,;51.66,-37.18,;51.66,-35.64,;50.31,-39.49,;48.97,-40.26,;51.64,-40.27,;50.3,-41.03,)| Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-7-3-15(4-8-19)14-1-5-18(6-2-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32) | 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 | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445587
(CHEMBL3103432)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(nc1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(76.05,-38.4,;74.76,-39.26,;74.74,-40.79,;73.34,-41.14,;72.02,-40.65,;72.01,-39.16,;73.35,-38.68,;72.31,-39.92,;72.31,-41.5,;73.73,-42.07,;70.82,-41.93,;69.48,-41.12,;68.13,-41.88,;66.64,-41.45,;65.78,-42.73,;66.73,-43.95,;68.18,-43.41,;70.81,-43.46,;69.47,-44.22,;69.46,-45.75,;70.78,-46.53,;72.12,-45.76,;72.13,-44.23,;70.78,-48.07,;69.43,-48.84,;69.42,-50.38,;70.76,-51.16,;72.11,-50.39,;72.11,-48.85,)| Show InChI InChI=1S/C23H25N5O/c29-22-15-8-18-10-16(22)11-19(9-15)23(18,12-21-25-27-28-26-21)17-6-7-20(24-13-17)14-4-2-1-3-5-14/h1-7,13,15-16,18-19,22,29H,8-12H2,(H,25,26,27,28) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445567
(CHEMBL3103427)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(68.53,-28.08,;67.25,-28.93,;67.23,-30.46,;65.83,-30.81,;64.5,-30.32,;64.5,-28.83,;65.84,-28.35,;64.8,-29.59,;64.8,-31.18,;66.22,-31.75,;63.3,-31.6,;61.96,-30.8,;60.62,-31.55,;59.13,-31.12,;58.27,-32.41,;59.22,-33.62,;60.67,-33.09,;63.29,-33.14,;61.95,-33.89,;61.94,-35.43,;63.27,-36.21,;64.61,-35.44,;64.61,-33.91,;63.27,-37.75,;61.92,-38.51,;61.91,-40.05,;63.25,-40.83,;64.59,-40.06,;64.59,-38.52,;65.93,-40.83,;65.93,-42.38,;67.27,-40.06,;67.26,-41.6,)| Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-3-1-2-15(8-19)14-4-6-18(7-5-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32) | 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 | 236 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445588
(CHEMBL3103442)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)Cc1ccc(cc1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(31.57,-14.14,;30.28,-14.99,;30.26,-16.53,;28.85,-16.88,;27.53,-16.38,;27.52,-14.89,;28.86,-14.41,;27.82,-15.65,;27.83,-17.24,;29.25,-17.81,;26.33,-17.67,;24.98,-16.86,;23.63,-17.62,;22.14,-17.19,;21.28,-18.47,;22.24,-19.69,;23.69,-19.16,;26.32,-19.21,;27.64,-19.98,;27.62,-21.5,;28.95,-22.27,;30.28,-21.51,;30.28,-19.98,;28.96,-19.21,;31.61,-22.28,;31.6,-23.83,;32.94,-24.61,;34.28,-23.84,;34.28,-22.28,;32.95,-21.51,)| Show InChI InChI=1S/C25H28N4O/c30-24-19-10-21-12-20(24)13-22(11-19)25(21,15-23-26-28-29-27-23)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19-22,24,30H,10-15H2,(H,26,27,28,29) | 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 | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445571
(CHEMBL3103437)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| Show InChI InChI=1S/C24H26N4/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)24(15-23-25-27-28-26-23)21-11-16-10-17(13-21)14-22(24)12-16/h1-9,16-17,21-22H,10-15H2,(H,25,26,27,28) | 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 | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445565
(CHEMBL3103521)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(11.94,-22.46,;10.65,-23.31,;10.63,-24.84,;9.23,-25.19,;7.91,-24.7,;7.9,-23.21,;9.25,-22.73,;8.2,-23.97,;8.21,-25.55,;9.63,-26.12,;6.71,-25.98,;5.37,-25.17,;4.02,-25.93,;2.53,-25.5,;1.67,-26.78,;2.63,-28,;4.08,-27.47,;6.7,-27.51,;5.36,-28.27,;5.35,-29.8,;6.68,-30.58,;8.02,-29.81,;8.02,-28.28,;6.67,-32.12,;5.33,-32.89,;5.32,-34.43,;6.65,-35.21,;6.65,-36.76,;8,-34.44,;8,-32.9,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29) | 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 | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445589
(CHEMBL3103436)Show SMILES Clc1cccc(CC2(Cc3nnn[nH]3)C3CC4CC(C3)CC2C4)c1 |TLB:22:21:19:15.16.17,6:7:19:15.16.17,8:7:15.22.16:20.18.19,THB:22:16:7.21.20:19,17:16:7:20.18.19,17:18:7:15.22.16,6:7:15.22.16:20.18.19,8:7:19:15.16.17,(22.9,-6.39,;21.55,-7.16,;21.55,-8.71,;20.22,-9.48,;18.89,-8.7,;18.9,-7.17,;17.57,-6.39,;17.58,-4.84,;16.23,-4.04,;14.88,-4.79,;14.93,-6.34,;13.47,-6.88,;12.51,-5.66,;13.38,-4.36,;18.79,-3.56,;20.12,-4.05,;21.53,-3.7,;21.55,-2.16,;20.13,-1.57,;18.78,-2.06,;19.08,-2.82,;19.09,-4.42,;20.52,-4.99,;20.22,-6.4,)| Show InChI InChI=1S/C19H23ClN4/c20-17-3-1-2-12(9-17)10-19(11-18-21-23-24-22-18)15-5-13-4-14(7-15)8-16(19)6-13/h1-3,9,13-16H,4-8,10-11H2,(H,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 423 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445570
(CHEMBL3103429)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(cc1)C#N |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(37.55,-36.73,;36.27,-37.58,;36.25,-39.12,;34.85,-39.46,;33.52,-38.97,;33.52,-37.48,;34.86,-37,;33.82,-38.24,;33.82,-39.83,;35.24,-40.4,;32.32,-40.25,;30.98,-39.45,;29.64,-40.2,;28.15,-39.78,;27.29,-41.06,;28.24,-42.27,;29.69,-41.74,;32.31,-41.79,;30.97,-42.54,;30.96,-44.08,;32.29,-44.86,;33.63,-44.09,;33.63,-42.56,;32.29,-46.4,;30.94,-47.16,;30.93,-48.7,;32.27,-49.48,;33.61,-48.71,;33.61,-47.17,;32.27,-51.03,;32.26,-52.57,)| Show InChI InChI=1S/C25H25N5O/c26-14-15-1-3-16(4-2-15)17-5-7-20(8-6-17)25(13-23-27-29-30-28-23)21-9-18-10-22(25)12-19(11-21)24(18)31/h1-8,18-19,21-22,24,31H,9-13H2,(H,27,28,29,30) | 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 | 429 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445589
(CHEMBL3103436)Show SMILES Clc1cccc(CC2(Cc3nnn[nH]3)C3CC4CC(C3)CC2C4)c1 |TLB:22:21:19:15.16.17,6:7:19:15.16.17,8:7:15.22.16:20.18.19,THB:22:16:7.21.20:19,17:16:7:20.18.19,17:18:7:15.22.16,6:7:15.22.16:20.18.19,8:7:19:15.16.17,(22.9,-6.39,;21.55,-7.16,;21.55,-8.71,;20.22,-9.48,;18.89,-8.7,;18.9,-7.17,;17.57,-6.39,;17.58,-4.84,;16.23,-4.04,;14.88,-4.79,;14.93,-6.34,;13.47,-6.88,;12.51,-5.66,;13.38,-4.36,;18.79,-3.56,;20.12,-4.05,;21.53,-3.7,;21.55,-2.16,;20.13,-1.57,;18.78,-2.06,;19.08,-2.82,;19.09,-4.42,;20.52,-4.99,;20.22,-6.4,)| Show InChI InChI=1S/C19H23ClN4/c20-17-3-1-2-12(9-17)10-19(11-18-21-23-24-22-18)15-5-13-4-14(7-15)8-16(19)6-13/h1-3,9,13-16H,4-8,10-11H2,(H,21,22,23,24) | 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 | 449 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445579
(CHEMBL3103435)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(6.07,-4.02,;4.72,-4.77,;4.78,-6.32,;3.32,-6.85,;2.37,-5.63,;3.23,-4.35,;7.41,-4.82,;8.61,-3.54,;9.94,-4.04,;11.34,-3.69,;11.36,-2.15,;9.95,-1.57,;8.6,-2.05,;8.91,-2.81,;8.91,-4.4,;10.33,-4.97,;7.4,-6.36,;6.06,-7.12,;6.05,-8.66,;7.38,-9.44,;8.72,-8.67,;8.72,-7.13,)| Show InChI InChI=1S/C18H22N4/c1-2-4-14(5-3-1)18(11-17-19-21-22-20-17)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-11H2,(H,19,20,21,22) | 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 | 509 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,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 | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,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 | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445584
(CHEMBL3103306)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1cccc(c1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(56.75,-15.02,;55.46,-15.88,;55.44,-17.41,;54.04,-17.76,;52.72,-17.26,;52.71,-15.78,;54.05,-15.29,;53.01,-16.53,;53.02,-18.12,;54.43,-18.69,;51.52,-18.54,;50.18,-17.74,;48.83,-18.49,;47.34,-18.07,;46.48,-19.35,;47.43,-20.57,;48.88,-20.03,;51.51,-20.08,;50.17,-20.84,;50.16,-22.37,;51.48,-23.15,;52.82,-22.38,;52.83,-20.85,;54.16,-23.16,;54.15,-24.7,;55.48,-25.48,;56.83,-24.71,;56.83,-23.16,;55.49,-22.39,)| Show InChI InChI=1S/C24H26N4O/c29-23-17-10-20-12-18(23)13-21(11-17)24(20,14-22-25-27-28-26-22)19-8-4-7-16(9-19)15-5-2-1-3-6-15/h1-9,17-18,20-21,23,29H,10-14H2,(H,25,26,27,28) | 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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445577
(CHEMBL3103305)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)C#Cc1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(45.45,-12.98,;44.16,-13.83,;44.14,-15.35,;42.75,-15.7,;41.43,-15.21,;41.42,-13.73,;42.76,-13.25,;41.72,-14.48,;41.72,-16.07,;43.14,-16.63,;40.23,-16.49,;38.89,-15.69,;37.55,-16.44,;36.06,-16.01,;35.2,-17.29,;36.16,-18.5,;37.6,-17.97,;40.22,-18.02,;40.21,-19.56,;40.2,-21.1,;38.86,-21.86,;38.85,-23.4,;40.18,-24.18,;41.53,-23.41,;41.53,-21.87,)| Show InChI InChI=1S/C20H22N4O/c25-19-14-8-16-10-15(19)11-17(9-14)20(16,12-18-21-23-24-22-18)7-6-13-4-2-1-3-5-13/h1-5,14-17,19,25H,8-12H2,(H,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 737 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445583
(CHEMBL3103430)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccncc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(50.71,-36.68,;49.42,-37.53,;49.4,-39.07,;48,-39.41,;46.67,-38.92,;46.67,-37.43,;48.01,-36.95,;46.97,-38.19,;46.97,-39.78,;48.39,-40.35,;45.47,-40.2,;44.13,-39.4,;42.78,-40.15,;41.29,-39.73,;40.43,-41.01,;41.39,-42.23,;42.84,-41.69,;45.46,-41.74,;44.12,-42.5,;44.11,-44.03,;45.44,-44.81,;46.78,-44.04,;46.78,-42.51,;45.43,-46.35,;44.09,-47.12,;44.08,-48.66,;45.42,-49.44,;46.76,-48.67,;46.76,-47.13,)| Show InChI InChI=1S/C23H25N5O/c29-22-16-9-19-11-17(22)12-20(10-16)23(19,13-21-25-27-28-26-21)18-3-1-14(2-4-18)15-5-7-24-8-6-15/h1-8,16-17,19-20,22,29H,9-13H2,(H,25,26,27,28) | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445580
(CHEMBL3103434)Show SMILES Fc1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC(C2)CC1C3 |TLB:22:21:19:15.16.17,4:7:19:15.16.17,8:7:15.22.16:20.18.19,THB:22:16:7.21.20:19,17:16:7:20.18.19,17:18:7:15.22.16,4:7:15.22.16:20.18.19,8:7:19:15.16.17,(10.18,-13.14,;10.19,-11.6,;8.86,-10.82,;8.87,-9.28,;10.21,-8.53,;11.53,-9.3,;11.53,-10.83,;10.22,-6.99,;8.88,-6.19,;7.53,-6.94,;6.13,-6.28,;5.07,-7.42,;5.83,-8.77,;7.34,-8.47,;11.42,-5.71,;12.75,-6.2,;14.15,-5.85,;14.17,-4.32,;12.76,-3.74,;11.42,-4.22,;11.72,-4.98,;11.72,-6.57,;13.14,-7.13,)| Show InChI InChI=1S/C18H21FN4/c19-16-3-1-13(2-4-16)18(10-17-20-22-23-21-17)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H,20,21,22,23) | 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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445578
(CHEMBL3103431)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccnc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(45.07,-33.21,;43.78,-34.06,;43.77,-35.6,;42.37,-35.94,;41.04,-35.45,;41.03,-33.96,;42.38,-33.48,;41.33,-34.72,;41.34,-36.31,;42.76,-36.88,;39.84,-36.73,;38.5,-35.93,;37.15,-36.68,;35.66,-36.26,;34.8,-37.54,;35.76,-38.75,;37.21,-38.22,;39.83,-38.27,;38.49,-39.03,;38.48,-40.56,;39.81,-41.34,;41.15,-40.57,;41.15,-39.04,;39.8,-42.88,;38.46,-43.65,;38.45,-45.19,;39.78,-45.97,;41.13,-45.2,;41.13,-43.65,)| Show InChI InChI=1S/C23H25N5O/c29-22-16-8-19-10-17(22)11-20(9-16)23(19,12-21-25-27-28-26-21)18-5-3-14(4-6-18)15-2-1-7-24-13-15/h1-7,13,16-17,19-20,22,29H,8-12H2,(H,25,26,27,28) | 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 | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445566
(CHEMBL3103428)Show SMILES COc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:24:23:14.25.26:28,11:14:22.24.23:26.27.28,15:14:28:22.23.29,THB:30:29:14.25.26:28,24:25:28:22.23.29,29:23:14:26.27.28,29:27:14:22.24.23,11:14:28:22.23.29,15:14:22.24.23:26.27.28,(5.06,-52.22,;6.4,-51.45,;6.4,-49.91,;5.07,-49.13,;5.08,-47.59,;6.42,-46.82,;7.75,-47.59,;7.75,-49.13,;6.43,-45.28,;5.1,-44.5,;5.11,-42.97,;6.45,-42.21,;7.77,-42.98,;7.77,-44.51,;6.46,-40.67,;5.12,-39.87,;3.77,-40.62,;2.28,-40.2,;1.42,-41.48,;2.38,-42.7,;3.83,-42.16,;7.66,-39.39,;8.98,-39.89,;10.38,-39.54,;9.37,-40.82,;7.96,-40.25,;7.95,-38.67,;8.99,-37.43,;7.65,-37.91,;10.4,-38.01,;11.69,-37.16,)| Show InChI InChI=1S/C25H28N4O2/c1-31-22-8-4-16(5-9-22)15-2-6-19(7-3-15)25(14-23-26-28-29-27-23)20-10-17-11-21(25)13-18(12-20)24(17)30/h2-9,17-18,20-21,24,30H,10-14H2,1H3,(H,26,27,28,29) | 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 | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445585
(CHEMBL3103440)Show SMILES OC12CC3CC(O)(CC(C1)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1)C2 |TLB:29:1:10:7.5.4,29:5:10:2.9.1,11:10:2.9.1:7.5.4,11:10:4:2.1.29,0:1:10.8.7:4,THB:9:8:4:2.1.29,9:1:10.8.7:4,17:10:2.9.1:7.5.4,17:10:4:2.1.29,6:5:10:2.9.1,(9.39,-13.86,;7.85,-13.86,;6.45,-14.21,;5.13,-13.72,;5.12,-12.23,;6.46,-11.75,;6.45,-10.2,;5.42,-12.99,;5.42,-14.58,;6.84,-15.15,;3.93,-15,;2.59,-14.2,;1.24,-14.95,;-.26,-14.52,;-1.12,-15.81,;-.17,-17.02,;1.29,-16.49,;3.92,-16.54,;2.58,-17.29,;2.57,-18.83,;3.89,-19.61,;5.23,-18.84,;5.24,-17.31,;3.89,-21.15,;2.54,-21.91,;2.53,-23.45,;3.87,-24.24,;5.21,-23.46,;5.22,-21.92,;7.87,-12.33,)| Show InChI InChI=1S/C24H26N4O2/c29-22-10-19-11-23(30,15-22)13-20(12-22)24(19,14-21-25-27-28-26-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20,29-30H,10-15H2,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445588
(CHEMBL3103442)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)Cc1ccc(cc1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(31.57,-14.14,;30.28,-14.99,;30.26,-16.53,;28.85,-16.88,;27.53,-16.38,;27.52,-14.89,;28.86,-14.41,;27.82,-15.65,;27.83,-17.24,;29.25,-17.81,;26.33,-17.67,;24.98,-16.86,;23.63,-17.62,;22.14,-17.19,;21.28,-18.47,;22.24,-19.69,;23.69,-19.16,;26.32,-19.21,;27.64,-19.98,;27.62,-21.5,;28.95,-22.27,;30.28,-21.51,;30.28,-19.98,;28.96,-19.21,;31.61,-22.28,;31.6,-23.83,;32.94,-24.61,;34.28,-23.84,;34.28,-22.28,;32.95,-21.51,)| Show InChI InChI=1S/C25H28N4O/c30-24-19-10-21-12-20(24)13-22(11-19)25(21,15-23-26-28-29-27-23)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19-22,24,30H,10-15H2,(H,26,27,28,29) | 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 | 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445586
(CHEMBL3103441)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)Cc1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(19.38,-14.73,;18.08,-15.58,;18.06,-17.13,;16.65,-17.48,;15.32,-16.98,;15.31,-15.48,;16.66,-15,;15.61,-16.25,;15.62,-17.85,;17.05,-18.42,;14.11,-18.27,;12.76,-17.46,;11.41,-18.22,;9.91,-17.79,;9.04,-19.08,;10,-20.31,;11.46,-19.77,;14.1,-19.82,;15.43,-20.59,;15.42,-22.13,;16.75,-22.9,;18.08,-22.14,;18.08,-20.59,;16.75,-19.82,)| Show InChI InChI=1S/C19H24N4O/c24-18-13-6-15-8-14(18)9-16(7-13)19(15,11-17-20-22-23-21-17)10-12-4-2-1-3-5-12/h1-5,13-16,18,24H,6-11H2,(H,20,21,22,23) | 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 | 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445582
(CHEMBL3102864)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:26:25:16.27.28:30,13:16:24.26.25:28.29.30,17:16:30:24.25.31,THB:32:31:16.27.28:30,26:27:30:24.25.31,31:25:16:28.29.30,31:29:16:24.26.25,13:16:30:24.25.31,17:16:24.26.25:28.29.30,(17.97,-51.27,;19.31,-50.5,;20.08,-51.83,;20.86,-50.49,;19.32,-48.96,;17.98,-48.18,;17.99,-46.63,;19.34,-45.87,;20.67,-46.64,;20.67,-48.18,;19.34,-44.33,;18.02,-43.55,;18.03,-42.02,;19.37,-41.26,;20.69,-42.03,;20.68,-43.56,;19.38,-39.72,;18.04,-38.92,;16.69,-39.67,;15.2,-39.25,;14.34,-40.53,;15.29,-41.74,;16.74,-41.21,;20.58,-38.44,;21.9,-38.93,;23.3,-38.59,;22.29,-39.87,;20.87,-39.3,;20.87,-37.71,;21.91,-36.47,;20.57,-36.95,;23.32,-37.05,;24.61,-36.2,)| Show InChI InChI=1S/C25H28N4O3S/c1-33(31,32)22-8-4-16(5-9-22)15-2-6-19(7-3-15)25(14-23-26-28-29-27-23)20-10-17-11-21(25)13-18(12-20)24(17)30/h2-9,17-18,20-21,24,30H,10-14H2,1H3,(H,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445587
(CHEMBL3103432)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(nc1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(76.05,-38.4,;74.76,-39.26,;74.74,-40.79,;73.34,-41.14,;72.02,-40.65,;72.01,-39.16,;73.35,-38.68,;72.31,-39.92,;72.31,-41.5,;73.73,-42.07,;70.82,-41.93,;69.48,-41.12,;68.13,-41.88,;66.64,-41.45,;65.78,-42.73,;66.73,-43.95,;68.18,-43.41,;70.81,-43.46,;69.47,-44.22,;69.46,-45.75,;70.78,-46.53,;72.12,-45.76,;72.13,-44.23,;70.78,-48.07,;69.43,-48.84,;69.42,-50.38,;70.76,-51.16,;72.11,-50.39,;72.11,-48.85,)| Show InChI InChI=1S/C23H25N5O/c29-22-15-8-18-10-16(22)11-19(9-15)23(18,12-21-25-27-28-26-21)17-6-7-20(24-13-17)14-4-2-1-3-5-14/h1-7,13,15-16,18-19,22,29H,8-12H2,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445586
(CHEMBL3103441)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)Cc1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(19.38,-14.73,;18.08,-15.58,;18.06,-17.13,;16.65,-17.48,;15.32,-16.98,;15.31,-15.48,;16.66,-15,;15.61,-16.25,;15.62,-17.85,;17.05,-18.42,;14.11,-18.27,;12.76,-17.46,;11.41,-18.22,;9.91,-17.79,;9.04,-19.08,;10,-20.31,;11.46,-19.77,;14.1,-19.82,;15.43,-20.59,;15.42,-22.13,;16.75,-22.9,;18.08,-22.14,;18.08,-20.59,;16.75,-19.82,)| Show InChI InChI=1S/C19H24N4O/c24-18-13-6-15-8-14(18)9-16(7-13)19(15,11-17-20-22-23-21-17)10-12-4-2-1-3-5-12/h1-5,13-16,18,24H,6-11H2,(H,20,21,22,23) | 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 | 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445584
(CHEMBL3103306)Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1cccc(c1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(56.75,-15.02,;55.46,-15.88,;55.44,-17.41,;54.04,-17.76,;52.72,-17.26,;52.71,-15.78,;54.05,-15.29,;53.01,-16.53,;53.02,-18.12,;54.43,-18.69,;51.52,-18.54,;50.18,-17.74,;48.83,-18.49,;47.34,-18.07,;46.48,-19.35,;47.43,-20.57,;48.88,-20.03,;51.51,-20.08,;50.17,-20.84,;50.16,-22.37,;51.48,-23.15,;52.82,-22.38,;52.83,-20.85,;54.16,-23.16,;54.15,-24.7,;55.48,-25.48,;56.83,-24.71,;56.83,-23.16,;55.49,-22.39,)| Show InChI InChI=1S/C24H26N4O/c29-23-17-10-20-12-18(23)13-21(11-17)24(20,14-22-25-27-28-26-22)19-8-4-7-16(9-19)15-5-2-1-3-6-15/h1-9,17-18,20-21,23,29H,10-14H2,(H,25,26,27,28) | 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445585
(CHEMBL3103440)Show SMILES OC12CC3CC(O)(CC(C1)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1)C2 |TLB:29:1:10:7.5.4,29:5:10:2.9.1,11:10:2.9.1:7.5.4,11:10:4:2.1.29,0:1:10.8.7:4,THB:9:8:4:2.1.29,9:1:10.8.7:4,17:10:2.9.1:7.5.4,17:10:4:2.1.29,6:5:10:2.9.1,(9.39,-13.86,;7.85,-13.86,;6.45,-14.21,;5.13,-13.72,;5.12,-12.23,;6.46,-11.75,;6.45,-10.2,;5.42,-12.99,;5.42,-14.58,;6.84,-15.15,;3.93,-15,;2.59,-14.2,;1.24,-14.95,;-.26,-14.52,;-1.12,-15.81,;-.17,-17.02,;1.29,-16.49,;3.92,-16.54,;2.58,-17.29,;2.57,-18.83,;3.89,-19.61,;5.23,-18.84,;5.24,-17.31,;3.89,-21.15,;2.54,-21.91,;2.53,-23.45,;3.87,-24.24,;5.21,-23.46,;5.22,-21.92,;7.87,-12.33,)| Show InChI InChI=1S/C24H26N4O2/c29-22-10-19-11-23(30,15-22)13-20(12-22)24(19,14-21-25-27-28-26-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20,29-30H,10-15H2,(H,25,26,27,28) | 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50445571
(CHEMBL3103437)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| Show InChI InChI=1S/C24H26N4/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)24(15-23-25-27-28-26-23)21-11-16-10-17(13-21)14-22(24)12-16/h1-9,16-17,21-22H,10-15H2,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50445571
(CHEMBL3103437)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| Show InChI InChI=1S/C24H26N4/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)24(15-23-25-27-28-26-23)21-11-16-10-17(13-21)14-22(24)12-16/h1-9,16-17,21-22H,10-15H2,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50445571
(CHEMBL3103437)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| Show InChI InChI=1S/C24H26N4/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)24(15-23-25-27-28-26-23)21-11-16-10-17(13-21)14-22(24)12-16/h1-9,16-17,21-22H,10-15H2,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50445571
(CHEMBL3103437)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| Show InChI InChI=1S/C24H26N4/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)24(15-23-25-27-28-26-23)21-11-16-10-17(13-21)14-22(24)12-16/h1-9,16-17,21-22H,10-15H2,(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50445571
(CHEMBL3103437)Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| Show InChI InChI=1S/C24H26N4/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)24(15-23-25-27-28-26-23)21-11-16-10-17(13-21)14-22(24)12-16/h1-9,16-17,21-22H,10-15H2,(H,25,26,27,28) | PDB
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UniChem
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| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of PXR (unknown origin) |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
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