Found 64 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)) | BDBM50306433
(CHEMBL601211 | N-(adamantan-2-yl)-7-bromo-3-(carba...)Show SMILES NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34BrN3O2/c27-21-3-1-2-20-19(13-22(28)31)14-26(23(20)21)4-6-30(7-5-26)25(32)29-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H2,28,31)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306416
(CHEMBL596620 | N-(adamantan-2-yl)-1,3-dihydrospiro...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1 |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,(13.65,-21.08,;13.69,-19.54,;12.38,-18.73,;11.02,-19.47,;11.01,-21,;9.61,-21.35,;8.29,-20.85,;7.09,-22.13,;8.59,-21.71,;10,-22.28,;8.58,-20.12,;9.62,-18.89,;8.27,-19.37,;15.05,-18.8,;15.08,-17.27,;16.44,-16.53,;17.76,-17.35,;17.7,-18.89,;17.49,-20.42,;18.87,-21.09,;19.3,-22.57,;20.79,-22.94,;21.86,-21.82,;21.43,-20.35,;19.94,-19.98,;19.22,-18.63,;16.35,-19.62,)| Show InChI InChI=1S/C24H32N2O/c27-23(25-22-20-9-16-8-17(11-20)12-21(22)10-16)26-7-3-6-24(15-26)13-18-4-1-2-5-19(18)14-24/h1-2,4-5,16-17,20-22H,3,6-15H2,(H,25,27) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306414
(3-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(C1)c1ccccc1 |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| Show InChI InChI=1S/C22H30N2O/c25-22(23-21-19-10-15-9-16(12-19)13-20(21)11-15)24-8-4-7-18(14-24)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-21H,4,7-14H2,(H,23,25) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306417
(CHEMBL596621 | N-(adamantan-2-yl)-2,3-dihydrospiro...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1 |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,(32.76,-22.58,;32.8,-21.03,;31.48,-20.22,;30.13,-20.96,;30.12,-22.49,;28.72,-22.84,;27.39,-22.35,;26.19,-23.63,;27.69,-23.21,;29.1,-23.77,;27.68,-21.61,;28.73,-20.38,;27.37,-20.86,;34.16,-20.29,;35.47,-21.11,;36.82,-20.38,;36.88,-18.83,;37.14,-17.31,;38.67,-17.1,;39.35,-18.48,;40.82,-18.9,;41.19,-20.38,;40.09,-21.45,;38.62,-21.03,;38.24,-19.55,;35.56,-18.02,;34.19,-18.75,)| Show InChI InChI=1S/C24H32N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-4,16-17,19-20,22H,5-15H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306433
(CHEMBL601211 | N-(adamantan-2-yl)-7-bromo-3-(carba...)Show SMILES NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34BrN3O2/c27-21-3-1-2-20-19(13-22(28)31)14-26(23(20)21)4-6-30(7-5-26)25(32)29-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H2,28,31)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306415
(4-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(CC1)c1ccccc1 |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| Show InChI InChI=1S/C22H30N2O/c25-22(23-21-19-11-15-10-16(13-19)14-20(21)12-15)24-8-6-18(7-9-24)17-4-2-1-3-5-17/h1-5,15-16,18-21H,6-14H2,(H,23,25) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306411
(3-Benzyl-piperidine-1-carboxylic acid adamantan-2-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(Cc2ccccc2)C1 |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,(31.28,3,;31.32,4.54,;30,5.35,;28.65,4.61,;28.64,3.08,;27.24,2.74,;25.92,3.23,;24.73,1.95,;26.22,2.37,;27.63,1.81,;26.22,3.96,;27.26,5.19,;25.91,4.71,;32.67,5.28,;32.7,6.81,;34.06,7.55,;35.37,6.73,;35.32,5.19,;36.63,4.38,;36.59,2.84,;35.23,2.12,;35.18,.58,;36.49,-.23,;37.85,.51,;37.89,2.04,;33.98,4.47,)| Show InChI InChI=1S/C23H32N2O/c26-23(24-22-20-11-18-10-19(13-20)14-21(22)12-18)25-8-4-7-17(15-25)9-16-5-2-1-3-6-16/h1-3,5-6,17-22H,4,7-15H2,(H,24,26) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306431
(2-[(3R)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)Show SMILES OC(=O)C[C@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306412
(4-Benzyl-piperidine-1-carboxylic acid adamantan-2-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(Cc2ccccc2)CC1 |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,(-3.99,-11.29,;-3.95,-9.75,;-5.26,-8.94,;-6.61,-9.68,;-6.62,-11.2,;-8.02,-11.55,;-9.34,-11.06,;-10.54,-12.34,;-9.04,-11.92,;-7.64,-12.48,;-9.05,-10.32,;-8.01,-9.1,;-9.36,-9.57,;-2.59,-9.01,;-1.29,-9.82,;.06,-9.1,;.11,-7.56,;1.47,-6.83,;2.78,-7.64,;2.72,-9.17,;4.03,-9.98,;5.39,-9.25,;5.43,-7.71,;4.12,-6.9,;-1.2,-6.75,;-2.56,-7.48,)| Show InChI InChI=1S/C23H32N2O/c26-23(24-22-20-12-18-11-19(14-20)15-21(22)13-18)25-8-6-17(7-9-25)10-16-4-2-1-3-5-16/h1-5,17-22H,6-15H2,(H,24,26) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306410
(2-Benzyl-piperidine-1-carboxylic acid adamantan-2-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1Cc1ccccc1 |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| Show InChI InChI=1S/C23H32N2O/c26-23(24-22-19-11-17-10-18(13-19)14-20(22)12-17)25-9-5-4-8-21(25)15-16-6-2-1-3-7-16/h1-3,6-7,17-22H,4-5,8-15H2,(H,24,26) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306429
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306434
(CHEMBL606420 | N-(adamantan-2-yl)-7-bromo-3-(2-hyd...)Show SMILES OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(39.7,-40.08,;38.93,-41.42,;37.38,-41.42,;36.61,-42.76,;35.07,-42.78,;34.62,-44.26,;34.56,-45.8,;33.21,-46.53,;31.9,-45.72,;31.93,-44.18,;33.29,-43.44,;30.54,-46.45,;30.5,-48,;29.22,-45.65,;27.87,-46.38,;27.86,-47.92,;26.46,-48.26,;25.13,-47.77,;23.93,-49.05,;25.43,-48.63,;26.84,-49.2,;25.42,-47.03,;26.47,-45.8,;25.12,-46.28,;35.88,-45.13,;37.11,-44.21,;38.52,-44.81,;38.71,-46.32,;37.48,-47.25,;36.07,-46.65,;34.83,-47.58,)| Show InChI InChI=1S/C26H35BrN2O2/c27-22-3-1-2-21-18(4-9-30)15-26(23(21)22)5-7-29(8-6-26)25(31)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h1-3,16-20,24,30H,4-15H2,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306432
(CHEMBL601210 | N-(adamantan-2-yl)-7-bromo-3-[(meth...)Show SMILES CS(=O)(=O)NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(7.53,-45.06,;6.76,-43.73,;6.35,-42.23,;8.25,-43.32,;5.22,-43.73,;4.45,-42.4,;5.22,-41.06,;2.9,-42.39,;2.13,-43.73,;.59,-43.76,;.14,-45.23,;.08,-46.77,;-1.27,-47.5,;-2.58,-46.69,;-2.55,-45.15,;-1.18,-44.42,;-3.93,-47.43,;-3.97,-48.97,;-5.25,-46.62,;-6.6,-47.35,;-6.62,-48.89,;-8.01,-49.23,;-9.34,-48.74,;-10.54,-50.02,;-9.04,-49.6,;-7.63,-50.17,;-9.04,-48,;-8,-46.77,;-9.35,-47.25,;1.41,-46.11,;2.63,-45.19,;4.03,-45.78,;4.23,-47.3,;3,-48.22,;1.59,-47.62,;.36,-48.55,)| Show InChI InChI=1S/C27H36BrN3O4S/c1-36(34,35)30-23(32)14-20-15-27(24-21(20)3-2-4-22(24)28)5-7-31(8-6-27)26(33)29-25-18-10-16-9-17(12-18)13-19(25)11-16/h2-4,16-20,25H,5-15H2,1H3,(H,29,33)(H,30,32) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306430
(2-[(3S)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)Show SMILES OC(=O)C[C@@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306413
(2-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1c1ccccc1 |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| Show InChI InChI=1S/C22H30N2O/c25-22(23-21-18-11-15-10-16(13-18)14-19(21)12-15)24-9-5-4-8-20(24)17-6-2-1-3-7-17/h1-3,6-7,15-16,18-21H,4-5,8-14H2,(H,23,25) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306428
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Cl |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33ClN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306431
(2-[(3R)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)Show SMILES OC(=O)C[C@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306417
(CHEMBL596621 | N-(adamantan-2-yl)-2,3-dihydrospiro...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1 |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,(32.76,-22.58,;32.8,-21.03,;31.48,-20.22,;30.13,-20.96,;30.12,-22.49,;28.72,-22.84,;27.39,-22.35,;26.19,-23.63,;27.69,-23.21,;29.1,-23.77,;27.68,-21.61,;28.73,-20.38,;27.37,-20.86,;34.16,-20.29,;35.47,-21.11,;36.82,-20.38,;36.88,-18.83,;37.14,-17.31,;38.67,-17.1,;39.35,-18.48,;40.82,-18.9,;41.19,-20.38,;40.09,-21.45,;38.62,-21.03,;38.24,-19.55,;35.56,-18.02,;34.19,-18.75,)| Show InChI InChI=1S/C24H32N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-4,16-17,19-20,22H,5-15H2,(H,25,27) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306427
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2cc(Cl)ccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(23.83,-21.54,;23.06,-20.21,;23.83,-18.87,;21.51,-20.2,;20.74,-21.54,;19.2,-21.57,;18.75,-23.04,;18.69,-24.59,;17.34,-25.32,;16.03,-24.5,;16.06,-22.96,;17.42,-22.23,;14.67,-25.24,;14.63,-26.78,;13.36,-24.43,;12,-25.17,;11.99,-26.7,;10.59,-27.05,;9.26,-26.56,;8.06,-27.84,;9.56,-27.42,;10.97,-27.98,;9.55,-25.82,;10.6,-24.59,;9.25,-25.07,;20.01,-23.92,;20.2,-25.44,;21.61,-26.04,;21.8,-27.57,;22.84,-25.11,;22.65,-23.59,;21.24,-23,)| Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-21-19(12-23(30)31)14-26(22(21)13-20)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306422
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(41.31,-1.21,;40.08,-2.14,;40.27,-3.66,;39.05,-4.59,;37.64,-3.99,;37.45,-2.47,;38.68,-1.55,;38.18,-.09,;38.95,1.24,;40.49,1.24,;41.27,-.09,;41.27,2.58,;36.64,-.12,;36.19,-1.6,;36.13,-3.14,;34.78,-3.87,;33.47,-3.05,;33.5,-1.51,;34.87,-.78,;32.12,-3.79,;32.08,-5.33,;30.8,-2.98,;29.44,-3.72,;29.43,-5.25,;28.04,-5.6,;26.71,-5.1,;25.51,-6.38,;27.01,-5.96,;28.42,-6.53,;27.01,-4.37,;28.05,-3.14,;26.7,-3.62,)| Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306426
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(4.21,-22.31,;3.43,-20.98,;4.21,-19.64,;1.89,-20.97,;1.12,-22.31,;-.42,-22.34,;-.87,-23.81,;-.93,-25.36,;-2.28,-26.09,;-3.59,-25.27,;-3.56,-23.73,;-2.2,-23,;-4.95,-26.01,;-4.99,-27.55,;-6.27,-25.2,;-7.62,-25.94,;-7.63,-27.47,;-9.03,-27.82,;-10.36,-27.33,;-11.56,-28.61,;-10.06,-28.19,;-8.65,-28.75,;-10.07,-26.59,;-9.02,-25.36,;-10.37,-25.84,;.39,-24.69,;.58,-26.21,;1.99,-26.81,;3.21,-25.88,;4.64,-26.48,;3.02,-24.36,;1.62,-23.77,)| Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-22-21(13-20)19(12-23(30)31)14-26(22)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306429
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | 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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306423
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dih...)Show SMILES Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(4.76,-16.1,;3.34,-15.51,;2.12,-16.43,;.71,-15.83,;.52,-14.32,;1.75,-13.4,;3.15,-13.99,;1.25,-11.94,;2.02,-10.61,;3.56,-10.61,;4.34,-11.94,;4.34,-9.27,;-.29,-11.97,;-.74,-13.44,;-.8,-14.98,;-2.15,-15.71,;-3.46,-14.9,;-3.43,-13.36,;-2.06,-12.63,;-4.81,-15.64,;-4.85,-17.18,;-6.13,-14.83,;-7.48,-15.56,;-7.49,-17.1,;-8.89,-17.44,;-10.22,-16.95,;-11.42,-18.23,;-9.92,-17.81,;-8.51,-18.38,;-9.92,-16.21,;-8.88,-14.98,;-10.23,-15.46,)| Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31) | 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 | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306430
(2-[(3S)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)Show SMILES OC(=O)C[C@@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306425
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-methyl-2,3-dih...)Show SMILES Cc1cccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c12 |TLB:27:26:30:23.22.21,27:22:25.26.28:30,THB:21:22:25:28.29.30,21:29:25:23.27.22,20:21:25.26.28:30,(38.07,-13.73,;39.3,-12.81,;40.71,-13.41,;41.94,-12.48,;41.75,-10.96,;40.34,-10.37,;39.84,-8.91,;40.62,-7.57,;42.16,-7.57,;42.93,-8.91,;42.94,-6.23,;38.3,-8.94,;37.85,-10.41,;37.8,-11.95,;36.44,-12.68,;35.13,-11.87,;35.16,-10.33,;36.53,-9.6,;33.78,-12.61,;33.73,-14.15,;32.46,-11.8,;31.1,-12.54,;31.09,-14.07,;29.69,-14.42,;28.37,-13.92,;27.17,-15.2,;28.66,-14.78,;30.07,-15.35,;28.66,-13.19,;29.7,-11.96,;28.35,-12.44,;39.12,-11.29,)| Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-21(14-23(30)31)15-27(24(16)22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306424
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-methyl-2,3-dih...)Show SMILES Cc1ccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c2c1 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29| Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-22-21(14-24(30)31)15-27(23(22)8-16)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31) | 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 | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306423
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dih...)Show SMILES Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(4.76,-16.1,;3.34,-15.51,;2.12,-16.43,;.71,-15.83,;.52,-14.32,;1.75,-13.4,;3.15,-13.99,;1.25,-11.94,;2.02,-10.61,;3.56,-10.61,;4.34,-11.94,;4.34,-9.27,;-.29,-11.97,;-.74,-13.44,;-.8,-14.98,;-2.15,-15.71,;-3.46,-14.9,;-3.43,-13.36,;-2.06,-12.63,;-4.81,-15.64,;-4.85,-17.18,;-6.13,-14.83,;-7.48,-15.56,;-7.49,-17.1,;-8.89,-17.44,;-10.22,-16.95,;-11.42,-18.23,;-9.92,-17.81,;-8.51,-18.38,;-9.92,-16.21,;-8.88,-14.98,;-10.23,-15.46,)| Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31) | KEGG
UniProtKB/SwissProt
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 |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306428
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Cl |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33ClN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | 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 | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306409
(CHEMBL596815 | Piperidine-1-carboxylic acid adaman...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1 |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| Show InChI InChI=1S/C16H26N2O/c19-16(18-4-2-1-3-5-18)17-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | 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 | 16.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | 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 | 16.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | 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 | 16.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306434
(CHEMBL606420 | N-(adamantan-2-yl)-7-bromo-3-(2-hyd...)Show SMILES OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(39.7,-40.08,;38.93,-41.42,;37.38,-41.42,;36.61,-42.76,;35.07,-42.78,;34.62,-44.26,;34.56,-45.8,;33.21,-46.53,;31.9,-45.72,;31.93,-44.18,;33.29,-43.44,;30.54,-46.45,;30.5,-48,;29.22,-45.65,;27.87,-46.38,;27.86,-47.92,;26.46,-48.26,;25.13,-47.77,;23.93,-49.05,;25.43,-48.63,;26.84,-49.2,;25.42,-47.03,;26.47,-45.8,;25.12,-46.28,;35.88,-45.13,;37.11,-44.21,;38.52,-44.81,;38.71,-46.32,;37.48,-47.25,;36.07,-46.65,;34.83,-47.58,)| Show InChI InChI=1S/C26H35BrN2O2/c27-22-3-1-2-21-18(4-9-30)15-26(23(21)22)5-7-29(8-6-26)25(31)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h1-3,16-20,24,30H,4-15H2,(H,28,31) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306425
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-methyl-2,3-dih...)Show SMILES Cc1cccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c12 |TLB:27:26:30:23.22.21,27:22:25.26.28:30,THB:21:22:25:28.29.30,21:29:25:23.27.22,20:21:25.26.28:30,(38.07,-13.73,;39.3,-12.81,;40.71,-13.41,;41.94,-12.48,;41.75,-10.96,;40.34,-10.37,;39.84,-8.91,;40.62,-7.57,;42.16,-7.57,;42.93,-8.91,;42.94,-6.23,;38.3,-8.94,;37.85,-10.41,;37.8,-11.95,;36.44,-12.68,;35.13,-11.87,;35.16,-10.33,;36.53,-9.6,;33.78,-12.61,;33.73,-14.15,;32.46,-11.8,;31.1,-12.54,;31.09,-14.07,;29.69,-14.42,;28.37,-13.92,;27.17,-15.2,;28.66,-14.78,;30.07,-15.35,;28.66,-13.19,;29.7,-11.96,;28.35,-12.44,;39.12,-11.29,)| Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-21(14-23(30)31)15-27(24(16)22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31) | 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 | 18.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306422
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(41.31,-1.21,;40.08,-2.14,;40.27,-3.66,;39.05,-4.59,;37.64,-3.99,;37.45,-2.47,;38.68,-1.55,;38.18,-.09,;38.95,1.24,;40.49,1.24,;41.27,-.09,;41.27,2.58,;36.64,-.12,;36.19,-1.6,;36.13,-3.14,;34.78,-3.87,;33.47,-3.05,;33.5,-1.51,;34.87,-.78,;32.12,-3.79,;32.08,-5.33,;30.8,-2.98,;29.44,-3.72,;29.43,-5.25,;28.04,-5.6,;26.71,-5.1,;25.51,-6.38,;27.01,-5.96,;28.42,-6.53,;27.01,-4.37,;28.05,-3.14,;26.7,-3.62,)| Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31) | 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 | 19.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306432
(CHEMBL601210 | N-(adamantan-2-yl)-7-bromo-3-[(meth...)Show SMILES CS(=O)(=O)NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(7.53,-45.06,;6.76,-43.73,;6.35,-42.23,;8.25,-43.32,;5.22,-43.73,;4.45,-42.4,;5.22,-41.06,;2.9,-42.39,;2.13,-43.73,;.59,-43.76,;.14,-45.23,;.08,-46.77,;-1.27,-47.5,;-2.58,-46.69,;-2.55,-45.15,;-1.18,-44.42,;-3.93,-47.43,;-3.97,-48.97,;-5.25,-46.62,;-6.6,-47.35,;-6.62,-48.89,;-8.01,-49.23,;-9.34,-48.74,;-10.54,-50.02,;-9.04,-49.6,;-7.63,-50.17,;-9.04,-48,;-8,-46.77,;-9.35,-47.25,;1.41,-46.11,;2.63,-45.19,;4.03,-45.78,;4.23,-47.3,;3,-48.22,;1.59,-47.62,;.36,-48.55,)| Show InChI InChI=1S/C27H36BrN3O4S/c1-36(34,35)30-23(32)14-20-15-27(24-21(20)3-2-4-22(24)28)5-7-31(8-6-27)26(33)29-25-18-10-16-9-17(12-18)13-19(25)11-16/h2-4,16-20,25H,5-15H2,1H3,(H,29,33)(H,30,32) | 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 | 22.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306424
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-methyl-2,3-dih...)Show SMILES Cc1ccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c2c1 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29| Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-22-21(14-24(30)31)15-27(23(22)8-16)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31) | 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 | 22.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306426
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(4.21,-22.31,;3.43,-20.98,;4.21,-19.64,;1.89,-20.97,;1.12,-22.31,;-.42,-22.34,;-.87,-23.81,;-.93,-25.36,;-2.28,-26.09,;-3.59,-25.27,;-3.56,-23.73,;-2.2,-23,;-4.95,-26.01,;-4.99,-27.55,;-6.27,-25.2,;-7.62,-25.94,;-7.63,-27.47,;-9.03,-27.82,;-10.36,-27.33,;-11.56,-28.61,;-10.06,-28.19,;-8.65,-28.75,;-10.07,-26.59,;-9.02,-25.36,;-10.37,-25.84,;.39,-24.69,;.58,-26.21,;1.99,-26.81,;3.21,-25.88,;4.64,-26.48,;3.02,-24.36,;1.62,-23.77,)| Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-22-21(13-20)19(12-23(30)31)14-26(22)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306427
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2cc(Cl)ccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(23.83,-21.54,;23.06,-20.21,;23.83,-18.87,;21.51,-20.2,;20.74,-21.54,;19.2,-21.57,;18.75,-23.04,;18.69,-24.59,;17.34,-25.32,;16.03,-24.5,;16.06,-22.96,;17.42,-22.23,;14.67,-25.24,;14.63,-26.78,;13.36,-24.43,;12,-25.17,;11.99,-26.7,;10.59,-27.05,;9.26,-26.56,;8.06,-27.84,;9.56,-27.42,;10.97,-27.98,;9.55,-25.82,;10.6,-24.59,;9.25,-25.07,;20.01,-23.92,;20.2,-25.44,;21.61,-26.04,;21.8,-27.57,;22.84,-25.11,;22.65,-23.59,;21.24,-23,)| Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-21-19(12-23(30)31)14-26(22(21)13-20)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31) | 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 | 30.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306418
(4-Phenyl-piperidine-1,4-dicarboxylic acid 1-adaman...)Show SMILES NC(=O)C1(CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:18:17:21:14.13.12,18:13:16.17.19:21,THB:12:13:16:19.20.21,12:20:16:14.18.13,11:12:16.17.19:21,(3.34,-33.13,;2.01,-33.9,;2.01,-35.44,;.68,-33.14,;.63,-34.68,;-.72,-35.4,;-2.03,-34.59,;-2,-33.06,;-.63,-32.33,;-3.38,-35.33,;-3.42,-36.87,;-4.69,-34.52,;-6.04,-35.26,;-6.05,-36.78,;-7.45,-37.13,;-8.77,-36.64,;-9.97,-37.92,;-8.47,-37.5,;-7.07,-38.06,;-8.48,-35.9,;-7.44,-34.68,;-8.79,-35.16,;1.44,-31.8,;2.98,-31.79,;3.74,-30.45,;2.96,-29.12,;1.41,-29.14,;.66,-30.48,)| Show InChI InChI=1S/C23H31N3O2/c24-21(27)23(19-4-2-1-3-5-19)6-8-26(9-7-23)22(28)25-20-17-11-15-10-16(13-17)14-18(20)12-15/h1-5,15-18,20H,6-14H2,(H2,24,27)(H,25,28) | 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 | 41.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306423
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dih...)Show SMILES Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(4.76,-16.1,;3.34,-15.51,;2.12,-16.43,;.71,-15.83,;.52,-14.32,;1.75,-13.4,;3.15,-13.99,;1.25,-11.94,;2.02,-10.61,;3.56,-10.61,;4.34,-11.94,;4.34,-9.27,;-.29,-11.97,;-.74,-13.44,;-.8,-14.98,;-2.15,-15.71,;-3.46,-14.9,;-3.43,-13.36,;-2.06,-12.63,;-4.81,-15.64,;-4.85,-17.18,;-6.13,-14.83,;-7.48,-15.56,;-7.49,-17.1,;-8.89,-17.44,;-10.22,-16.95,;-11.42,-18.23,;-9.92,-17.81,;-8.51,-18.38,;-9.92,-16.21,;-8.88,-14.98,;-10.23,-15.46,)| Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31) | 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 | 49.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306419
(4-Hydroxy-4-phenyl-piperidine-1-carboxylic acid ad...)Show SMILES OC1(CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:10:11:14:17.18.19,10:18:14:12.16.11,9:10:14.15.17:19| Show InChI InChI=1S/C22H30N2O2/c25-21(23-20-17-11-15-10-16(13-17)14-18(20)12-15)24-8-6-22(26,7-9-24)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25) | 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 | 56.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | 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 | 57.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | 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 | 60.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | 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 | 60.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306420
(1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro[in...)Show SMILES OC(=O)C1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23| Show InChI InChI=1S/C25H32N2O3/c28-23(29)20-14-25(21-4-2-1-3-19(20)21)5-7-27(8-6-25)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,20,22H,5-14H2,(H,26,30)(H,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 | 68.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50306420
(1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro[in...)Show SMILES OC(=O)C1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23| Show InChI InChI=1S/C25H32N2O3/c28-23(29)20-14-25(21-4-2-1-3-19(20)21)5-7-27(8-6-25)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,20,22H,5-14H2,(H,26,30)(H,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 | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306422
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(41.31,-1.21,;40.08,-2.14,;40.27,-3.66,;39.05,-4.59,;37.64,-3.99,;37.45,-2.47,;38.68,-1.55,;38.18,-.09,;38.95,1.24,;40.49,1.24,;41.27,-.09,;41.27,2.58,;36.64,-.12,;36.19,-1.6,;36.13,-3.14,;34.78,-3.87,;33.47,-3.05,;33.5,-1.51,;34.87,-.78,;32.12,-3.79,;32.08,-5.33,;30.8,-2.98,;29.44,-3.72,;29.43,-5.25,;28.04,-5.6,;26.71,-5.1,;25.51,-6.38,;27.01,-5.96,;28.42,-6.53,;27.01,-4.37,;28.05,-3.14,;26.7,-3.62,)| Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31) | KEGG
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| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | KEGG
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| CHEMBL
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PC sid
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| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | KEGG
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| CHEMBL
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| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306434
(CHEMBL606420 | N-(adamantan-2-yl)-7-bromo-3-(2-hyd...)Show SMILES OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(39.7,-40.08,;38.93,-41.42,;37.38,-41.42,;36.61,-42.76,;35.07,-42.78,;34.62,-44.26,;34.56,-45.8,;33.21,-46.53,;31.9,-45.72,;31.93,-44.18,;33.29,-43.44,;30.54,-46.45,;30.5,-48,;29.22,-45.65,;27.87,-46.38,;27.86,-47.92,;26.46,-48.26,;25.13,-47.77,;23.93,-49.05,;25.43,-48.63,;26.84,-49.2,;25.42,-47.03,;26.47,-45.8,;25.12,-46.28,;35.88,-45.13,;37.11,-44.21,;38.52,-44.81,;38.71,-46.32,;37.48,-47.25,;36.07,-46.65,;34.83,-47.58,)| Show InChI InChI=1S/C26H35BrN2O2/c27-22-3-1-2-21-18(4-9-30)15-26(23(21)22)5-7-29(8-6-26)25(31)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h1-3,16-20,24,30H,4-15H2,(H,28,31) | KEGG
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306427
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2cc(Cl)ccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(23.83,-21.54,;23.06,-20.21,;23.83,-18.87,;21.51,-20.2,;20.74,-21.54,;19.2,-21.57,;18.75,-23.04,;18.69,-24.59,;17.34,-25.32,;16.03,-24.5,;16.06,-22.96,;17.42,-22.23,;14.67,-25.24,;14.63,-26.78,;13.36,-24.43,;12,-25.17,;11.99,-26.7,;10.59,-27.05,;9.26,-26.56,;8.06,-27.84,;9.56,-27.42,;10.97,-27.98,;9.55,-25.82,;10.6,-24.59,;9.25,-25.07,;20.01,-23.92,;20.2,-25.44,;21.61,-26.04,;21.8,-27.57,;22.84,-25.11,;22.65,-23.59,;21.24,-23,)| Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-21-19(12-23(30)31)14-26(22(21)13-20)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306431
(2-[(3R)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)Show SMILES OC(=O)C[C@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m0/s1 | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306421
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306432
(CHEMBL601210 | N-(adamantan-2-yl)-7-bromo-3-[(meth...)Show SMILES CS(=O)(=O)NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(7.53,-45.06,;6.76,-43.73,;6.35,-42.23,;8.25,-43.32,;5.22,-43.73,;4.45,-42.4,;5.22,-41.06,;2.9,-42.39,;2.13,-43.73,;.59,-43.76,;.14,-45.23,;.08,-46.77,;-1.27,-47.5,;-2.58,-46.69,;-2.55,-45.15,;-1.18,-44.42,;-3.93,-47.43,;-3.97,-48.97,;-5.25,-46.62,;-6.6,-47.35,;-6.62,-48.89,;-8.01,-49.23,;-9.34,-48.74,;-10.54,-50.02,;-9.04,-49.6,;-7.63,-50.17,;-9.04,-48,;-8,-46.77,;-9.35,-47.25,;1.41,-46.11,;2.63,-45.19,;4.03,-45.78,;4.23,-47.3,;3,-48.22,;1.59,-47.62,;.36,-48.55,)| Show InChI InChI=1S/C27H36BrN3O4S/c1-36(34,35)30-23(32)14-20-15-27(24-21(20)3-2-4-22(24)28)5-7-31(8-6-27)26(33)29-25-18-10-16-9-17(12-18)13-19(25)11-16/h2-4,16-20,25H,5-15H2,1H3,(H,29,33)(H,30,32) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306430
(2-[(3S)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)Show SMILES OC(=O)C[C@@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m1/s1 | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306425
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-methyl-2,3-dih...)Show SMILES Cc1cccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c12 |TLB:27:26:30:23.22.21,27:22:25.26.28:30,THB:21:22:25:28.29.30,21:29:25:23.27.22,20:21:25.26.28:30,(38.07,-13.73,;39.3,-12.81,;40.71,-13.41,;41.94,-12.48,;41.75,-10.96,;40.34,-10.37,;39.84,-8.91,;40.62,-7.57,;42.16,-7.57,;42.93,-8.91,;42.94,-6.23,;38.3,-8.94,;37.85,-10.41,;37.8,-11.95,;36.44,-12.68,;35.13,-11.87,;35.16,-10.33,;36.53,-9.6,;33.78,-12.61,;33.73,-14.15,;32.46,-11.8,;31.1,-12.54,;31.09,-14.07,;29.69,-14.42,;28.37,-13.92,;27.17,-15.2,;28.66,-14.78,;30.07,-15.35,;28.66,-13.19,;29.7,-11.96,;28.35,-12.44,;39.12,-11.29,)| Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-21(14-23(30)31)15-27(24(16)22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306429
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | KEGG
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306426
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(4.21,-22.31,;3.43,-20.98,;4.21,-19.64,;1.89,-20.97,;1.12,-22.31,;-.42,-22.34,;-.87,-23.81,;-.93,-25.36,;-2.28,-26.09,;-3.59,-25.27,;-3.56,-23.73,;-2.2,-23,;-4.95,-26.01,;-4.99,-27.55,;-6.27,-25.2,;-7.62,-25.94,;-7.63,-27.47,;-9.03,-27.82,;-10.36,-27.33,;-11.56,-28.61,;-10.06,-28.19,;-8.65,-28.75,;-10.07,-26.59,;-9.02,-25.36,;-10.37,-25.84,;.39,-24.69,;.58,-26.21,;1.99,-26.81,;3.21,-25.88,;4.64,-26.48,;3.02,-24.36,;1.62,-23.77,)| Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-22-21(13-20)19(12-23(30)31)14-26(22)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31) | KEGG
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PC cid
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UniChem
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306424
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-methyl-2,3-dih...)Show SMILES Cc1ccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c2c1 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29| Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-22-21(14-24(30)31)15-27(23(22)8-16)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31) | KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50306428
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-chloro-2,3-dih...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Cl |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24| Show InChI InChI=1S/C26H33ClN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50306429
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
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| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50306429
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50306429
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)| Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 881-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ |
More data for this
Ligand-Target Pair | |
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