Found 36 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)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of 11betaHSD1 in human adipocytes assessed as cortisone to cortisol conversion by scintillation counting method |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of 11betaHSD1 in human adipocytes assessed as cortisone to cortisol conversion by scintillation counting method |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399353
(CHEMBL2177615)Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:30:29:27:23.24.25,20:21:23.30.24:28.26.27,THB:30:24:21.29.28:27,20:21:27:23.24.25,25:24:21:28.26.27,25:26:21:23.30.24,(42.49,-16.8,;40.96,-16.96,;40.05,-15.71,;40.68,-14.31,;39.78,-13.06,;40.26,-11.6,;39.01,-10.69,;37.76,-11.6,;38.24,-13.06,;37.33,-14.3,;35.8,-14.13,;34.89,-15.38,;35.51,-16.79,;37.05,-16.94,;37.95,-15.7,;34.61,-18.03,;33.08,-17.87,;35.24,-19.44,;41.72,-11.12,;42.04,-9.62,;42.86,-12.15,;44.33,-11.68,;45.53,-10.4,;46.85,-10.89,;48.25,-10.55,;48.26,-9.02,;46.86,-8.44,;45.52,-8.92,;45.83,-9.67,;45.83,-11.26,;47.24,-11.82,)| Show InChI InChI=1S/C24H29N3O3S/c1-2-7-31-23-20(13-25-27(23)19-5-3-16(4-6-19)24(29)30)22(28)26-21-17-9-14-8-15(11-17)12-18(21)10-14/h3-6,13-15,17-18,21H,2,7-12H2,1H3,(H,26,28)(H,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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399348
(CHEMBL2177620)Show SMILES CCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:20:22.29.23:27.25.26,29:28:26:22.23.24,THB:19:20:26:22.23.24,29:23:20.28.27:26,24:23:20:27.25.26,24:25:20:22.29.23,(-1.15,-44.09,;-2.05,-42.84,;-1.42,-41.44,;-2.34,-40.19,;-1.85,-38.73,;-3.11,-37.83,;-4.34,-38.73,;-3.88,-40.19,;-4.77,-41.44,;-6.3,-41.27,;-7.22,-42.51,;-6.58,-43.92,;-5.04,-44.07,;-4.15,-42.83,;-7.49,-45.16,;-9.03,-45,;-6.86,-46.57,;-.38,-38.26,;-.07,-36.76,;.76,-39.29,;2.22,-38.82,;3.42,-37.54,;4.75,-38.03,;6.14,-37.69,;6.15,-36.16,;4.76,-35.58,;3.41,-36.06,;3.72,-36.81,;3.72,-38.4,;5.13,-38.96,)| Show InChI InChI=1S/C23H27N3O3S/c1-2-30-22-19(12-24-26(22)18-5-3-15(4-6-18)23(28)29)21(27)25-20-16-8-13-7-14(10-16)11-17(20)9-13/h3-6,12-14,16-17,20H,2,7-11H2,1H3,(H,25,27)(H,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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399346
(CHEMBL2180883)Show SMILES OC(=O)c1ccc(cc1)-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1SC1CCCC1 |TLB:15:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(27.7,-42.8,;29.23,-42.96,;29.85,-44.37,;30.13,-41.71,;29.51,-40.3,;30.41,-39.06,;31.95,-39.23,;32.57,-40.63,;31.67,-41.87,;32.85,-37.99,;32.38,-36.52,;33.62,-35.61,;34.87,-36.52,;36.34,-36.05,;36.66,-34.54,;37.48,-37.08,;38.95,-36.61,;40.14,-35.33,;41.47,-35.82,;42.87,-35.47,;42.88,-33.95,;41.48,-33.37,;40.13,-33.85,;40.44,-34.6,;40.45,-36.19,;41.85,-36.75,;34.39,-37.99,;35.3,-39.23,;34.67,-40.64,;33.17,-40.96,;33,-42.49,;34.41,-43.12,;35.44,-41.97,)| Show InChI InChI=1S/C26H31N3O3S/c30-24(28-23-18-10-15-9-16(12-18)13-19(23)11-15)22-14-27-29(25(22)33-21-3-1-2-4-21)20-7-5-17(6-8-20)26(31)32/h5-8,14-16,18-19,21,23H,1-4,9-13H2,(H,28,30)(H,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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399351
(CHEMBL2177617)Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)OC |r,wU:21.22,wD:28.35,TLB:20:21:30.27.28:25.24.23,20:21:23:30.28.29,31:28:21.26.25:23,THB:27:26:23:30.28.29,27:28:21.26.25:23,29:28:21:25.24.23,29:24:21:30.27.28,31:28:21:25.24.23,(6.35,-29.86,;4.82,-30.02,;3.92,-28.78,;4.54,-27.37,;3.64,-26.12,;4.12,-24.66,;2.87,-23.75,;1.63,-24.66,;2.1,-26.12,;1.19,-27.37,;-.35,-27.2,;-1.26,-28.44,;-.62,-29.85,;.92,-30.01,;1.82,-28.76,;-1.54,-31.1,;-3.07,-30.94,;-.9,-32.51,;5.58,-24.19,;5.91,-22.68,;6.73,-25.22,;8.19,-24.75,;9.39,-23.47,;9.38,-21.98,;10.73,-21.51,;9.69,-22.73,;9.69,-24.32,;11.1,-24.89,;12.11,-23.61,;12.12,-22.08,;10.72,-23.96,;13.65,-23.55,;14.47,-24.85,)| Show InChI InChI=1S/C25H31N3O4S/c1-3-8-33-23-20(14-26-28(23)19-6-4-16(5-7-19)24(30)31)22(29)27-21-17-9-15-10-18(21)13-25(11-15,12-17)32-2/h4-7,14-15,17-18,21H,3,8-13H2,1-2H3,(H,27,29)(H,30,31)/t15?,17?,18?,21-,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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399336
(CHEMBL2177608)Show SMILES CC1(CC1)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(10.13,-23.34,;8.59,-23.5,;8.59,-25.04,;7.26,-24.26,;7.69,-22.25,;8.17,-20.79,;6.92,-19.88,;5.68,-20.79,;6.15,-22.25,;5.25,-23.5,;3.71,-23.33,;2.81,-24.57,;3.43,-25.98,;4.97,-26.14,;5.87,-24.89,;2.53,-27.23,;.99,-27.07,;3.15,-28.63,;9.64,-20.31,;9.96,-18.81,;10.78,-21.35,;12.24,-20.87,;13.44,-19.6,;14.77,-20.09,;16.17,-19.74,;16.18,-18.21,;14.78,-17.63,;13.43,-18.11,;13.74,-18.86,;13.75,-20.45,;15.15,-21.02,)| Show InChI InChI=1S/C25H29N3O3/c1-25(6-7-25)22-20(13-26-28(22)19-4-2-16(3-5-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h2-5,13-15,17-18,21H,6-12H2,1H3,(H,27,29)(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 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399352
(CHEMBL2177616)Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,TLB:20:21:31.27.28:25.24.23,20:21:23:31.28.30,29:28:21.26.25:23,THB:27:26:23:31.28.30,27:28:21.26.25:23,30:28:21:25.24.23,30:24:21:31.27.28,29:28:21:25.24.23,(58.75,-15.24,;57.22,-15.4,;56.32,-14.15,;56.94,-12.74,;56.04,-11.5,;56.52,-10.03,;55.27,-9.12,;54.03,-10.03,;54.5,-11.5,;53.59,-12.74,;52.06,-12.57,;51.15,-13.81,;51.78,-15.22,;53.32,-15.38,;54.22,-14.14,;50.87,-16.47,;49.34,-16.31,;51.5,-17.88,;57.98,-9.56,;58.31,-8.05,;59.13,-10.59,;60.59,-10.12,;61.79,-8.84,;61.78,-7.36,;63.13,-6.88,;62.09,-8.11,;62.09,-9.7,;63.5,-10.26,;64.51,-8.98,;66.05,-8.92,;64.52,-7.46,;63.12,-9.33,)| Show InChI InChI=1S/C24H29N3O4S/c1-2-7-32-22-19(13-25-27(22)18-5-3-15(4-6-18)23(29)30)21(28)26-20-16-8-14-9-17(20)12-24(31,10-14)11-16/h3-6,13-14,16-17,20,31H,2,7-12H2,1H3,(H,26,28)(H,29,30)/t14?,16?,17?,20-,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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399338
(CHEMBL2177606)Show SMILES OC(=O)c1ccc(cc1)-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C1CCCC1 |TLB:15:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(33.58,-8.41,;35.11,-8.57,;35.73,-9.98,;36.01,-7.32,;35.39,-5.91,;36.3,-4.67,;37.83,-4.84,;38.45,-6.23,;37.55,-7.48,;38.73,-3.59,;38.26,-2.13,;39.5,-1.22,;40.75,-2.13,;42.22,-1.66,;42.54,-.15,;43.36,-2.69,;44.83,-2.21,;46.02,-.94,;47.35,-1.43,;48.75,-1.08,;48.76,.46,;47.36,1.03,;46.02,.56,;46.32,-.2,;46.33,-1.79,;47.73,-2.36,;40.27,-3.59,;41.18,-4.84,;40.7,-6.3,;41.94,-7.21,;43.19,-6.3,;42.71,-4.84,)| Show InChI InChI=1S/C26H31N3O3/c30-25(28-23-19-10-15-9-16(12-19)13-20(23)11-15)22-14-27-29(24(22)17-3-1-2-4-17)21-7-5-18(6-8-21)26(31)32/h5-8,14-17,19-20,23H,1-4,9-13H2,(H,28,30)(H,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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399347
(CHEMBL2177621)Show SMILES CSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:19:21.28.22:26.24.25,28:27:25:21.22.23,THB:18:19:25:21.22.23,28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,(16.98,-40.7,;17.61,-39.29,;16.71,-38.05,;17.19,-36.58,;15.94,-35.68,;14.69,-36.58,;15.17,-38.05,;14.26,-39.29,;12.73,-39.12,;11.82,-40.36,;12.45,-41.77,;13.99,-41.93,;14.88,-40.69,;11.54,-43.02,;10.01,-42.86,;12.17,-44.43,;18.65,-36.11,;18.97,-34.6,;19.79,-37.14,;21.26,-36.67,;22.46,-35.39,;23.78,-35.88,;25.18,-35.54,;25.19,-34.01,;23.79,-33.43,;22.45,-33.91,;22.76,-34.66,;22.76,-36.25,;24.17,-36.81,)| Show InChI InChI=1S/C22H25N3O3S/c1-29-21-18(11-23-25(21)17-4-2-14(3-5-17)22(27)28)20(26)24-19-15-7-12-6-13(9-15)10-16(19)8-12/h2-5,11-13,15-16,19H,6-10H2,1H3,(H,24,26)(H,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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399339
(CHEMBL2177605)Show SMILES OC(=O)c1ccc(cc1)-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C1CCC1 |TLB:15:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(16.81,-9.09,;18.35,-9.25,;18.97,-10.66,;19.25,-8,;18.63,-6.59,;19.53,-5.35,;21.06,-5.52,;21.69,-6.92,;20.79,-8.16,;21.97,-4.28,;21.5,-2.81,;22.74,-1.91,;23.99,-2.81,;25.46,-2.34,;25.78,-.83,;26.6,-3.37,;28.06,-2.9,;29.26,-1.62,;30.59,-2.11,;31.98,-1.77,;32,-.24,;30.6,.34,;29.25,-.14,;29.56,-.89,;29.57,-2.48,;30.97,-3.04,;23.51,-4.28,;24.42,-5.52,;24.18,-7.05,;25.7,-7.29,;25.94,-5.77,)| Show InChI InChI=1S/C25H29N3O3/c29-24(27-22-18-9-14-8-15(11-18)12-19(22)10-14)21-13-26-28(23(21)16-2-1-3-16)20-6-4-17(5-7-20)25(30)31/h4-7,13-16,18-19,22H,1-3,8-12H2,(H,27,29)(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 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399345
(CHEMBL2180884)Show SMILES OC(=O)c1ccc(cc1)-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1SC1CCCCC1 |TLB:15:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(43.67,-41.61,;45.2,-41.77,;45.83,-43.18,;46.1,-40.52,;45.48,-39.11,;46.39,-37.87,;47.92,-38.04,;48.54,-39.43,;47.64,-40.68,;48.83,-36.79,;48.35,-35.33,;49.6,-34.42,;50.84,-35.33,;52.31,-34.86,;52.63,-33.35,;53.45,-35.89,;54.92,-35.41,;56.11,-34.14,;57.44,-34.63,;58.84,-34.28,;58.85,-32.75,;57.45,-32.18,;56.11,-32.65,;56.41,-33.4,;56.42,-34.99,;57.82,-35.56,;50.37,-36.79,;51.27,-38.04,;50.64,-39.45,;49.11,-39.6,;48.48,-41,;49.38,-42.25,;50.91,-42.09,;51.55,-40.69,)| Show InChI InChI=1S/C27H33N3O3S/c31-25(29-24-19-11-16-10-17(13-19)14-20(24)12-16)23-15-28-30(21-8-6-18(7-9-21)27(32)33)26(23)34-22-4-2-1-3-5-22/h6-9,15-17,19-20,22,24H,1-5,10-14H2,(H,29,31)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399350
(CHEMBL2177618)Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)OC(F)F |r,wU:21.22,wD:28.35,TLB:20:21:30.27.28:25.24.23,20:21:23:30.28.29,31:28:21.26.25:23,THB:27:26:23:30.28.29,27:28:21.26.25:23,29:28:21:25.24.23,29:24:21:30.27.28,31:28:21:25.24.23,(27.09,-29.55,;25.56,-29.71,;24.65,-28.46,;25.28,-27.05,;24.38,-25.81,;24.85,-24.34,;23.61,-23.43,;22.36,-24.34,;22.84,-25.81,;21.93,-27.05,;20.4,-26.88,;19.49,-28.12,;20.11,-29.53,;21.65,-29.69,;22.55,-28.45,;19.21,-30.78,;17.68,-30.62,;19.84,-32.19,;26.32,-23.87,;26.64,-22.36,;27.46,-24.9,;28.93,-24.43,;30.13,-23.15,;30.12,-21.67,;31.46,-21.19,;30.43,-22.42,;30.43,-24.01,;31.84,-24.57,;32.85,-23.3,;32.86,-21.77,;31.45,-23.64,;34.39,-23.23,;35.1,-21.87,;36.64,-21.81,;34.28,-20.57,)| Show InChI InChI=1S/C25H29F2N3O4S/c1-2-7-35-22-19(13-28-30(22)18-5-3-15(4-6-18)23(32)33)21(31)29-20-16-8-14-9-17(20)12-25(10-14,11-16)34-24(26)27/h3-6,13-14,16-17,20,24H,2,7-12H2,1H3,(H,29,31)(H,32,33)/t14?,16?,17?,20-,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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399341
(CHEMBL2177603)Show SMILES CC(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:20:22.29.23:27.25.26,29:28:26:22.23.24,THB:19:20:26:22.23.24,29:23:20.28.27:26,24:23:20:27.25.26,24:25:20:22.29.23,(53.92,-53.92,;54.55,-52.52,;56.08,-52.36,;53.64,-51.27,;54.12,-49.81,;52.87,-48.9,;51.63,-49.81,;52.1,-51.27,;51.2,-52.52,;49.66,-52.34,;48.76,-53.59,;49.38,-55,;50.92,-55.16,;51.82,-53.91,;48.48,-56.25,;46.95,-56.09,;49.1,-57.65,;55.59,-49.33,;55.91,-47.83,;56.73,-50.37,;58.2,-49.89,;59.39,-48.62,;60.72,-49.11,;62.12,-48.76,;62.13,-47.23,;60.73,-46.65,;59.38,-47.13,;59.69,-47.88,;59.7,-49.47,;61.1,-50.04,)| Show InChI InChI=1S/C24H29N3O3/c1-13(2)22-20(12-25-27(22)19-5-3-16(4-6-19)24(29)30)23(28)26-21-17-8-14-7-15(10-17)11-18(21)9-14/h3-6,12-15,17-18,21H,7-11H2,1-2H3,(H,26,28)(H,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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399359
(CHEMBL2177610)Show InChI InChI=1S/C14H23N3OS/c1-3-9-19-14-12(10-15-17(14)2)13(18)16-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,16,18) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399340
(CHEMBL2177604)Show SMILES OC(=O)c1ccc(cc1)-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C1CC1 |TLB:15:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(-2.53,-10.16,;-1,-10.32,;-.37,-11.73,;-.09,-9.07,;-.72,-7.66,;.2,-6.42,;1.73,-6.59,;2.35,-7.98,;1.46,-9.23,;2.64,-5.34,;2.17,-3.88,;3.41,-2.97,;4.66,-3.88,;6.12,-3.41,;6.44,-1.9,;7.26,-4.44,;8.73,-3.96,;9.93,-2.69,;11.25,-3.18,;12.65,-2.83,;12.66,-1.3,;11.26,-.72,;9.92,-1.2,;10.23,-1.95,;10.23,-3.54,;11.64,-4.11,;4.18,-5.34,;5.08,-6.59,;5.23,-8.13,;6.48,-7.23,)| Show InChI InChI=1S/C24H27N3O3/c28-23(26-21-17-8-13-7-14(10-17)11-18(21)9-13)20-12-25-27(22(20)15-1-2-15)19-5-3-16(4-6-19)24(29)30/h3-6,12-15,17-18,21H,1-2,7-11H2,(H,26,28)(H,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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399356
(CHEMBL2177613)Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H25N3O3S/c1-2-12-27-19-17(18(24)22-15-6-4-3-5-7-15)13-21-23(19)16-10-8-14(9-11-16)20(25)26/h8-11,13,15H,2-7,12H2,1H3,(H,22,24)(H,25,26) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399354
(CHEMBL2177614)Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C21H27N3O3S/c1-3-13-28-20-18(19(25)23(2)16-7-5-4-6-8-16)14-22-24(20)17-11-9-15(10-12-17)21(26)27/h9-12,14,16H,3-8,13H2,1-2H3,(H,26,27) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length rat 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399337
(CHEMBL2177607)Show SMILES OC(=O)c1ccc(cc1)-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C(F)(F)F |TLB:15:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(51.11,-9.22,;52.64,-9.38,;53.26,-10.78,;53.54,-8.13,;52.92,-6.72,;53.82,-5.48,;55.36,-5.65,;55.98,-7.04,;55.08,-8.29,;56.26,-4.4,;55.79,-2.94,;57.03,-2.03,;58.28,-2.94,;59.75,-2.46,;60.07,-.96,;60.89,-3.5,;62.36,-3.02,;63.55,-1.75,;64.88,-2.24,;66.28,-1.89,;66.29,-.36,;64.89,.22,;63.55,-.26,;63.85,-1.01,;63.86,-2.6,;65.26,-3.17,;57.8,-4.4,;58.71,-5.65,;58.08,-7.06,;60.24,-5.49,;59.47,-6.98,)| Show InChI InChI=1S/C22H22F3N3O3/c23-22(24,25)19-17(10-26-28(19)16-3-1-13(2-4-16)21(30)31)20(29)27-18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,10-12,14-15,18H,5-9H2,(H,27,29)(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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399355
(CHEMBL2177110)Show SMILES CCCSc1c(cnn1-c1cccc(c1)C(O)=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H25N3O3S/c1-2-11-27-19-17(18(24)22-15-8-4-3-5-9-15)13-21-23(19)16-10-6-7-14(12-16)20(25)26/h6-7,10,12-13,15H,2-5,8-9,11H2,1H3,(H,22,24)(H,25,26) | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399349
(CHEMBL2177619)Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |r,wU:21.22,wD:28.35,TLB:31:28:21.26.25:23,20:21:30.27.28:25.24.23,20:21:23:30.28.29,THB:31:28:21:25.24.23,27:26:23:30.28.29,27:28:21.26.25:23,29:28:21:25.24.23,29:24:21:30.27.28,(48.34,-29.11,;46.8,-29.27,;45.9,-28.02,;46.53,-26.62,;45.62,-25.37,;46.1,-23.91,;44.85,-23,;43.61,-23.91,;44.08,-25.37,;43.18,-26.62,;41.65,-26.44,;40.74,-27.69,;41.36,-29.1,;42.9,-29.26,;43.8,-28.01,;40.46,-30.35,;38.93,-30.19,;41.08,-31.75,;47.57,-23.43,;47.89,-21.93,;48.71,-24.47,;50.18,-23.99,;51.37,-22.72,;51.37,-21.23,;52.71,-20.75,;51.67,-21.98,;51.68,-23.57,;53.08,-24.14,;54.1,-22.86,;54.11,-21.33,;52.7,-23.21,;55.63,-22.8,;56.46,-24.1,;55.63,-21.26,;56.96,-22.02,)| Show InChI InChI=1S/C25H31N3O5S2/c1-3-8-34-23-20(14-26-28(23)19-6-4-16(5-7-19)24(30)31)22(29)27-21-17-9-15-10-18(21)13-25(11-15,12-17)35(2,32)33/h4-7,14-15,17-18,21H,3,8-13H2,1-2H3,(H,27,29)(H,30,31)/t15?,17?,18?,21-,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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399357
(CHEMBL2177612)Show SMILES CCCSc1c(cnn1[C@H]1CC[C@@H](CC1)C(O)=O)C(=O)NC1CCCCC1 |r,wU:9.9,wD:12.16,(46.36,-5.14,;44.83,-5.3,;43.92,-4.05,;44.55,-2.64,;43.65,-1.4,;44.13,.08,;42.88,.97,;41.64,.08,;42.11,-1.4,;41.2,-2.64,;41.83,-4.05,;40.92,-5.29,;39.38,-5.13,;38.77,-3.72,;39.67,-2.48,;38.47,-6.37,;36.94,-6.2,;39.09,-7.78,;45.59,.55,;45.91,2.05,;46.73,-.49,;48.2,-.02,;49.34,-1.06,;50.8,-.59,;51.13,.92,;49.99,1.95,;48.52,1.49,)| Show InChI InChI=1S/C20H31N3O3S/c1-2-12-27-19-17(18(24)22-15-6-4-3-5-7-15)13-21-23(19)16-10-8-14(9-11-16)20(25)26/h13-16H,2-12H2,1H3,(H,22,24)(H,25,26)/t14-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392217
(CHEMBL2153173)Show InChI InChI=1S/C15H22N2OS/c1-2-11-19-15-13(9-6-10-16-15)14(18)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399358
(CHEMBL2177611)Show SMILES CCCSc1c(cnn1[C@@H]1CC[C@@H](CC1)C(O)=O)C(=O)NC1CCCCC1 |r,wU:9.9,12.16,(30.24,-5.15,;28.71,-5.31,;27.8,-4.06,;28.43,-2.66,;27.53,-1.41,;28.01,.06,;26.76,.96,;25.52,.06,;25.99,-1.41,;25.09,-2.66,;23.55,-2.5,;22.65,-3.73,;23.27,-5.14,;24.8,-5.31,;25.71,-4.07,;22.35,-6.38,;20.82,-6.21,;22.97,-7.79,;29.47,.54,;29.79,2.03,;30.61,-.51,;32.08,-.04,;33.22,-1.08,;34.68,-.61,;35.01,.91,;33.87,1.94,;32.4,1.47,)| Show InChI InChI=1S/C20H31N3O3S/c1-2-12-27-19-17(18(24)22-15-6-4-3-5-7-15)13-21-23(19)16-10-8-14(9-11-16)20(25)26/h13-16H,2-12H2,1H3,(H,22,24)(H,25,26)/t14-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399342
(CHEMBL2177602)Show SMILES CCc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:19:21.28.22:26.24.25,28:27:25:21.22.23,THB:18:19:25:21.22.23,28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,(38.26,-54.34,;38.89,-52.93,;37.99,-51.68,;38.46,-50.22,;37.22,-49.31,;35.97,-50.22,;36.45,-51.68,;35.54,-52.93,;34.01,-52.76,;33.1,-54,;33.72,-55.41,;35.26,-55.57,;36.16,-54.32,;32.82,-56.66,;31.29,-56.5,;33.45,-58.06,;39.93,-49.74,;40.25,-48.24,;41.07,-50.78,;42.54,-50.3,;43.74,-49.03,;45.06,-49.52,;46.46,-49.17,;46.47,-47.64,;45.07,-47.06,;43.73,-47.54,;44.04,-48.29,;44.04,-49.88,;45.44,-50.45,)| Show InChI InChI=1S/C23H27N3O3/c1-2-20-19(12-24-26(20)18-5-3-15(4-6-18)23(28)29)22(27)25-21-16-8-13-7-14(10-16)11-17(21)9-13/h3-6,12-14,16-17,21H,2,7-11H2,1H3,(H,25,27)(H,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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length mouse 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399344
(CHEMBL2180885)Show SMILES OC(=O)c1ccc(cc1)-n1cc(cn1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:16:17:19.26.20:24.22.23,26:25:23:19.20.21,THB:16:17:23:19.20.21,26:20:17.25.24:23,21:20:17:24.22.23,21:22:17:19.26.20,(-5.38,-58.17,;-3.85,-58.33,;-3.21,-59.74,;-2.93,-57.08,;-3.57,-55.67,;-2.65,-54.43,;-1.12,-54.6,;-.5,-56,;-1.39,-57.24,;-.23,-53.36,;1.33,-53.36,;1.81,-51.9,;.56,-50.99,;-.69,-51.9,;3.27,-51.42,;3.6,-49.92,;4.42,-52.45,;5.88,-51.98,;7.08,-50.7,;8.41,-51.19,;9.8,-50.85,;9.81,-49.32,;8.42,-48.74,;7.07,-49.22,;7.38,-49.97,;7.38,-51.56,;8.79,-52.12,)| Show InChI InChI=1S/C21H23N3O3/c25-20(23-19-15-6-12-5-13(8-15)9-16(19)7-12)17-10-22-24(11-17)18-3-1-14(2-4-18)21(26)27/h1-4,10-13,15-16,19H,5-9H2,(H,23,25)(H,26,27) | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length rat 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length mouse 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50399343
(CHEMBL2177601)Show SMILES Cc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:20.27.21:25.23.24,27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(22.8,-53.54,;21.89,-52.29,;22.37,-50.83,;21.12,-49.92,;19.88,-50.83,;20.35,-52.29,;19.45,-53.53,;17.92,-53.36,;17.01,-54.61,;17.63,-56.02,;19.17,-56.17,;20.07,-54.93,;16.73,-57.27,;15.2,-57.1,;17.35,-58.67,;23.84,-50.35,;24.16,-48.85,;24.98,-51.38,;26.45,-50.91,;27.64,-49.63,;28.97,-50.12,;30.37,-49.78,;30.38,-48.25,;28.98,-47.67,;27.64,-48.15,;27.94,-48.9,;27.95,-50.49,;29.35,-51.06,)| Show InChI InChI=1S/C22H25N3O3/c1-12-19(11-23-25(12)18-4-2-15(3-5-18)22(27)28)21(26)24-20-16-7-13-6-14(9-16)10-17(20)8-13/h2-5,11,13-14,16-17,20H,6-10H2,1H3,(H,24,26)(H,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 | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | PDB
MMDB
Reactome pathway
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MCE
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PC sid
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of 17beta-HSD1 assessed as conversion of estrone to estradiol by scintillation counting method |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 assessed as conversion of cortisol to cortisone by fluorescence based assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
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