Found 59 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)) | BDBM50394015
(CHEMBL2158468)Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.9,-44.89,;.56,-45.66,;-.77,-44.89,;-.77,-43.35,;-2.11,-42.59,;-3.45,-43.36,;-4.78,-42.59,;-4.78,-41.04,;-3.45,-40.27,;-2.11,-41.04,;-.78,-40.26,;-.79,-38.72,;.55,-41.03,;1.88,-40.25,;3.05,-38.95,;4.39,-39.41,;5.78,-39.04,;4.79,-40.33,;3.37,-39.8,;3.34,-38.2,;4.35,-36.96,;4.34,-35.41,;5.76,-37.51,;3.01,-37.46,;-6.11,-43.36,;-7.45,-42.59,;-6.12,-44.9,)| Show InChI InChI=1S/C21H31N3O2S/c1-4-7-27-20-16(5-6-17(22-20)24(2)3)19(25)23-18-14-8-13-9-15(18)12-21(26,10-13)11-14/h5-6,13-15,18,26H,4,7-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21- | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394013
(CHEMBL2158466)Show SMILES CCCSc1nc(NC)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.15,wD:22.24,TLB:19:20:25:17.18.24,19:18:15.20.21:25,23:22:15:17.19.18,THB:14:15:25:17.18.24,24:18:15:21.22.25,24:22:15:17.19.18,(1.31,-29.92,;-.02,-30.69,;-1.35,-29.92,;-1.36,-28.38,;-2.69,-27.61,;-4.03,-28.39,;-5.36,-27.62,;-6.7,-28.38,;-8.03,-27.61,;-5.36,-26.07,;-4.03,-25.3,;-2.7,-26.06,;-1.37,-25.29,;-1.37,-23.75,;-.03,-26.05,;1.3,-25.28,;2.47,-23.97,;3.81,-24.44,;5.19,-24.06,;4.2,-25.36,;2.79,-24.82,;2.75,-23.23,;3.77,-21.98,;3.76,-20.44,;5.18,-22.54,;2.43,-22.49,)| Show InChI InChI=1S/C20H29N3O2S/c1-3-6-26-19-15(4-5-16(21-2)22-19)18(24)23-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h4-5,12-14,17,25H,3,6-11H2,1-2H3,(H,21,22)(H,23,24)/t12?,13?,14?,17-,20- | 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 human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394016
(CHEMBL2158469)Show SMILES CCCSc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(23.18,-44.42,;21.85,-45.2,;20.52,-44.43,;20.51,-42.89,;19.18,-42.12,;17.84,-42.89,;16.51,-42.12,;16.51,-40.58,;17.84,-39.81,;19.17,-40.57,;20.5,-39.79,;20.5,-38.25,;21.84,-40.56,;23.17,-39.79,;24.34,-38.48,;25.68,-38.94,;27.07,-38.57,;26.08,-39.87,;24.66,-39.33,;24.62,-37.74,;25.64,-36.49,;25.63,-34.95,;27.05,-37.04,;24.3,-36.99,;15.17,-42.89,;13.84,-42.12,;15.17,-44.43,)| Show InChI InChI=1S/C20H30N4O2S/c1-4-5-27-18-15(11-21-19(23-18)24(2)3)17(25)22-16-13-6-12-7-14(16)10-20(26,8-12)9-13/h11-14,16,26H,4-10H2,1-3H3,(H,22,25)/t12?,13?,14?,16-,20- | 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 human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394014
(CHEMBL2158467)Show SMILES CCCSc1nc(NC)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.15,wD:22.24,TLB:19:20:25:17.18.24,19:18:15.20.21:25,23:22:15:17.19.18,THB:14:15:25:17.18.24,24:18:15:21.22.25,24:22:15:17.19.18,(21.02,-29.8,;19.69,-30.57,;18.35,-29.81,;18.35,-28.27,;17.02,-27.5,;15.68,-28.27,;14.35,-27.5,;13.01,-28.27,;11.68,-27.5,;14.35,-25.95,;15.68,-25.18,;17.01,-25.95,;18.34,-25.17,;18.34,-23.63,;19.68,-25.94,;21.01,-25.16,;22.18,-23.86,;23.51,-24.32,;24.9,-23.95,;23.91,-25.24,;22.5,-24.71,;22.46,-23.12,;23.48,-21.87,;23.47,-20.32,;24.88,-22.42,;22.14,-22.37,)| Show InChI InChI=1S/C19H28N4O2S/c1-3-4-26-17-14(10-21-18(20-2)23-17)16(24)22-15-12-5-11-6-13(15)9-19(25,7-11)8-12/h10-13,15,25H,3-9H2,1-2H3,(H,22,24)(H,20,21,23)/t11?,12?,13?,15-,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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394017
(CHEMBL2158470)Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(2.84,-3.33,;1.5,-4.1,;.17,-3.33,;.17,-1.79,;-1.17,-1.02,;-2.5,-1.79,;-3.84,-1.02,;-3.84,.52,;-2.51,1.29,;-1.17,.53,;.16,1.3,;.15,2.84,;1.49,.54,;2.82,1.31,;3.99,2.62,;5.33,2.15,;6.72,2.53,;5.73,1.23,;4.31,1.77,;4.28,3.36,;5.29,4.61,;5.28,6.15,;6.7,4.06,;3.96,4.1,;-5.17,-1.8,;-6.5,-1.02,;-7.83,-1.78,;-7.84,-3.32,;-6.51,-4.1,;-5.17,-3.33,)| Show InChI InChI=1S/C23H33N3O3S/c1-2-9-30-22-18(3-4-19(24-22)26-5-7-29-8-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27)/t15?,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394000
(CHEMBL2158481)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1ccc(nc1C1CC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.27.3,27:26:6:4.3.2,THB:8:7:6:4.3.2,27:3:7.26.28:6,2:3:7:28.1.6,2:1:7:4.27.3,(5.69,-7.49,;5.71,-9.03,;7.11,-9.59,;7.13,-11.11,;5.74,-11.49,;4.4,-11.02,;4.37,-9.54,;3.23,-12.33,;1.91,-13.1,;.57,-12.34,;.56,-10.8,;-.76,-13.11,;-2.1,-12.35,;-3.42,-13.12,;-3.43,-14.67,;-2.09,-15.44,;-.76,-14.66,;.58,-15.43,;1.35,-16.76,;2.12,-15.43,;-4.76,-15.44,;-6.09,-14.66,;-7.42,-15.42,;-7.43,-16.97,;-6.1,-17.74,;-4.76,-16.98,;4.73,-11.87,;6.14,-12.41,;4.69,-10.28,)| Show InChI InChI=1S/C23H31N3O3/c27-22(25-20-16-9-14-10-17(20)13-23(28,11-14)12-16)18-3-4-19(24-21(18)15-1-2-15)26-5-7-29-8-6-26/h3-4,14-17,20,28H,1-2,5-13H2,(H,25,27)/t14?,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394011
(CHEMBL2158464)Show SMILES CCCSc1nc(C)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:18:19:24:16.17.23,18:17:14.19.20:24,22:21:14:16.18.17,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(1.43,-17.15,;.1,-17.92,;-1.24,-17.15,;-1.24,-15.61,;-2.58,-14.84,;-3.91,-15.62,;-5.25,-14.84,;-6.58,-15.61,;-5.24,-13.3,;-3.92,-12.53,;-2.58,-13.29,;-1.25,-12.52,;-1.26,-10.98,;.09,-13.28,;1.41,-12.51,;2.58,-11.2,;3.92,-11.67,;5.31,-11.29,;4.32,-12.59,;2.91,-12.05,;2.87,-10.46,;3.89,-9.21,;3.87,-7.67,;5.29,-9.77,;2.55,-9.72,)| Show InChI InChI=1S/C20H28N2O2S/c1-3-6-25-19-16(5-4-12(2)21-19)18(23)22-17-14-7-13-8-15(17)11-20(24,9-13)10-14/h4-5,13-15,17,24H,3,6-11H2,1-2H3,(H,22,23)/t13?,14?,15?,17-,20- | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394010
(CHEMBL2158007)Show SMILES CCCSc1ncncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(16.53,-3.98,;15.2,-4.75,;13.87,-3.98,;13.86,-2.44,;12.53,-1.68,;11.19,-2.45,;9.86,-1.68,;9.86,-.13,;11.19,.64,;12.52,-.13,;13.85,.65,;13.85,2.19,;15.19,-.12,;16.52,.66,;17.69,1.97,;19.03,1.5,;20.42,1.87,;19.43,.58,;18.01,1.12,;17.97,2.71,;18.99,3.95,;18.98,5.5,;20.4,3.4,;17.65,3.45,)| Show InChI InChI=1S/C18H25N3O2S/c1-2-3-24-17-14(9-19-10-20-17)16(22)21-15-12-4-11-5-13(15)8-18(23,6-11)7-12/h9-13,15,23H,2-8H2,1H3,(H,21,22)/t11?,12?,13?,15-,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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394012
(CHEMBL2158465)Show SMILES CCCSc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:18:19:24:16.17.23,18:17:14.19.20:24,22:21:14:16.18.17,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(18.17,-16.91,;16.83,-17.69,;15.5,-16.92,;15.5,-15.38,;14.16,-14.61,;12.83,-15.38,;11.49,-14.61,;10.16,-15.38,;11.49,-13.07,;12.82,-12.3,;14.16,-13.06,;15.49,-12.28,;15.48,-10.74,;16.82,-13.05,;18.15,-12.28,;19.32,-10.97,;20.66,-11.43,;22.05,-11.06,;21.06,-12.36,;19.64,-11.82,;19.61,-10.23,;20.62,-8.98,;20.61,-7.44,;22.03,-9.53,;19.29,-9.48,)| Show InChI InChI=1S/C19H27N3O2S/c1-3-4-25-18-15(10-20-11(2)21-18)17(23)22-16-13-5-12-6-14(16)9-19(24,7-12)8-13/h10,12-14,16,24H,3-9H2,1-2H3,(H,22,23)/t12?,13?,14?,16-,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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394018
(CHEMBL2158471)Show SMILES CCCSc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(23.49,-4.45,;22.16,-5.23,;20.83,-4.46,;20.83,-2.92,;19.49,-2.15,;18.15,-2.92,;16.82,-2.15,;16.82,-.61,;18.15,.16,;19.48,-.6,;20.82,.18,;20.81,1.72,;22.15,-.59,;23.48,.18,;24.65,1.49,;25.99,1.03,;27.38,1.4,;26.39,.1,;24.97,.64,;24.94,2.23,;25.95,3.48,;25.94,5.02,;27.36,2.93,;24.61,2.98,;15.49,-2.92,;14.16,-2.14,;12.83,-2.9,;12.82,-4.44,;14.15,-5.22,;15.49,-4.45,)| Show InChI InChI=1S/C22H32N4O3S/c1-2-7-30-20-17(13-23-21(25-20)26-3-5-29-6-4-26)19(27)24-18-15-8-14-9-16(18)12-22(28,10-14)11-15/h13-16,18,28H,2-12H2,1H3,(H,24,27)/t14?,15?,16?,18-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394001
(CHEMBL2158482)Show SMILES CCCOc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(18.84,-18.34,;17.51,-19.11,;16.18,-18.34,;16.17,-16.8,;14.84,-16.03,;13.5,-16.81,;12.17,-16.03,;12.17,-14.49,;13.5,-13.72,;14.83,-14.48,;16.16,-13.71,;16.16,-12.17,;17.5,-14.47,;18.83,-13.7,;20,-12.39,;21.34,-12.86,;22.73,-12.48,;21.74,-13.78,;20.32,-13.24,;20.28,-11.65,;21.3,-10.4,;21.29,-8.86,;22.71,-10.96,;19.96,-10.91,;10.84,-16.81,;9.5,-16.03,;8.17,-16.79,;8.16,-18.33,;9.5,-19.11,;10.84,-18.34,)| Show InChI InChI=1S/C23H33N3O4/c1-2-7-30-22-18(3-4-19(24-22)26-5-8-29-9-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27)/t15?,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394013
(CHEMBL2158466)Show SMILES CCCSc1nc(NC)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.15,wD:22.24,TLB:19:20:25:17.18.24,19:18:15.20.21:25,23:22:15:17.19.18,THB:14:15:25:17.18.24,24:18:15:21.22.25,24:22:15:17.19.18,(1.31,-29.92,;-.02,-30.69,;-1.35,-29.92,;-1.36,-28.38,;-2.69,-27.61,;-4.03,-28.39,;-5.36,-27.62,;-6.7,-28.38,;-8.03,-27.61,;-5.36,-26.07,;-4.03,-25.3,;-2.7,-26.06,;-1.37,-25.29,;-1.37,-23.75,;-.03,-26.05,;1.3,-25.28,;2.47,-23.97,;3.81,-24.44,;5.19,-24.06,;4.2,-25.36,;2.79,-24.82,;2.75,-23.23,;3.77,-21.98,;3.76,-20.44,;5.18,-22.54,;2.43,-22.49,)| Show InChI InChI=1S/C20H29N3O2S/c1-3-6-26-19-15(4-5-16(21-2)22-19)18(24)23-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h4-5,12-14,17,25H,3,6-11H2,1-2H3,(H,21,22)(H,23,24)/t12?,13?,14?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394001
(CHEMBL2158482)Show SMILES CCCOc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(18.84,-18.34,;17.51,-19.11,;16.18,-18.34,;16.17,-16.8,;14.84,-16.03,;13.5,-16.81,;12.17,-16.03,;12.17,-14.49,;13.5,-13.72,;14.83,-14.48,;16.16,-13.71,;16.16,-12.17,;17.5,-14.47,;18.83,-13.7,;20,-12.39,;21.34,-12.86,;22.73,-12.48,;21.74,-13.78,;20.32,-13.24,;20.28,-11.65,;21.3,-10.4,;21.29,-8.86,;22.71,-10.96,;19.96,-10.91,;10.84,-16.81,;9.5,-16.03,;8.17,-16.79,;8.16,-18.33,;9.5,-19.11,;10.84,-18.34,)| Show InChI InChI=1S/C23H33N3O4/c1-2-7-30-22-18(3-4-19(24-22)26-5-8-29-9-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27)/t15?,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394000
(CHEMBL2158481)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1ccc(nc1C1CC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.27.3,27:26:6:4.3.2,THB:8:7:6:4.3.2,27:3:7.26.28:6,2:3:7:28.1.6,2:1:7:4.27.3,(5.69,-7.49,;5.71,-9.03,;7.11,-9.59,;7.13,-11.11,;5.74,-11.49,;4.4,-11.02,;4.37,-9.54,;3.23,-12.33,;1.91,-13.1,;.57,-12.34,;.56,-10.8,;-.76,-13.11,;-2.1,-12.35,;-3.42,-13.12,;-3.43,-14.67,;-2.09,-15.44,;-.76,-14.66,;.58,-15.43,;1.35,-16.76,;2.12,-15.43,;-4.76,-15.44,;-6.09,-14.66,;-7.42,-15.42,;-7.43,-16.97,;-6.1,-17.74,;-4.76,-16.98,;4.73,-11.87,;6.14,-12.41,;4.69,-10.28,)| Show InChI InChI=1S/C23H31N3O3/c27-22(25-20-16-9-14-10-17(20)13-23(28,11-14)12-16)18-3-4-19(24-21(18)15-1-2-15)26-5-7-29-8-6-26/h3-4,14-17,20,28H,1-2,5-13H2,(H,25,27)/t14?,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394006
(CHEMBL2158532)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.29.3,29:28:6:4.3.2,THB:8:7:6:4.3.2,29:3:7.28.30:6,2:3:7:30.1.6,2:1:7:4.29.3,(6.13,-38.89,;6.14,-40.43,;7.55,-40.99,;7.57,-42.51,;6.18,-42.89,;4.84,-42.42,;4.8,-40.94,;3.67,-43.73,;2.34,-44.5,;1.01,-43.74,;1,-42.2,;-.33,-44.51,;-1.66,-43.75,;-2.99,-44.52,;-2.99,-46.06,;-1.66,-46.84,;-.32,-46.06,;.92,-46.98,;.91,-48.51,;2.38,-49,;3.29,-47.75,;2.39,-46.5,;-4.32,-46.84,;-5.66,-46.06,;-6.99,-46.82,;-7,-48.36,;-5.66,-49.14,;-4.32,-48.37,;5.16,-43.27,;6.58,-43.81,;5.13,-41.68,)| Show InChI InChI=1S/C24H34N4O3/c29-22(26-20-17-9-15-10-18(20)13-24(30,11-15)12-17)19-14-25-23(28-5-7-31-8-6-28)27-21(19)16-3-1-2-4-16/h14-18,20,30H,1-13H2,(H,26,29)/t15?,17?,18?,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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394017
(CHEMBL2158470)Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(2.84,-3.33,;1.5,-4.1,;.17,-3.33,;.17,-1.79,;-1.17,-1.02,;-2.5,-1.79,;-3.84,-1.02,;-3.84,.52,;-2.51,1.29,;-1.17,.53,;.16,1.3,;.15,2.84,;1.49,.54,;2.82,1.31,;3.99,2.62,;5.33,2.15,;6.72,2.53,;5.73,1.23,;4.31,1.77,;4.28,3.36,;5.29,4.61,;5.28,6.15,;6.7,4.06,;3.96,4.1,;-5.17,-1.8,;-6.5,-1.02,;-7.83,-1.78,;-7.84,-3.32,;-6.51,-4.1,;-5.17,-3.33,)| Show InChI InChI=1S/C23H33N3O3S/c1-2-9-30-22-18(3-4-19(24-22)26-5-7-29-8-6-26)21(27)25-20-16-10-15-11-17(20)14-23(28,12-15)13-16/h3-4,15-17,20,28H,2,5-14H2,1H3,(H,25,27)/t15?,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394015
(CHEMBL2158468)Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.9,-44.89,;.56,-45.66,;-.77,-44.89,;-.77,-43.35,;-2.11,-42.59,;-3.45,-43.36,;-4.78,-42.59,;-4.78,-41.04,;-3.45,-40.27,;-2.11,-41.04,;-.78,-40.26,;-.79,-38.72,;.55,-41.03,;1.88,-40.25,;3.05,-38.95,;4.39,-39.41,;5.78,-39.04,;4.79,-40.33,;3.37,-39.8,;3.34,-38.2,;4.35,-36.96,;4.34,-35.41,;5.76,-37.51,;3.01,-37.46,;-6.11,-43.36,;-7.45,-42.59,;-6.12,-44.9,)| Show InChI InChI=1S/C21H31N3O2S/c1-4-7-27-20-16(5-6-17(22-20)24(2)3)19(25)23-18-14-8-13-9-15(18)12-21(26,10-13)11-14/h5-6,13-15,18,26H,4,7-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394009
(CHEMBL2158535)Show SMILES CCCOc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(26.63,-7.07,;25.3,-7.84,;23.96,-7.07,;23.96,-5.53,;22.62,-4.76,;21.29,-5.54,;19.95,-4.76,;19.96,-3.22,;21.28,-2.45,;22.62,-3.21,;23.95,-2.44,;23.94,-.9,;25.29,-3.2,;26.61,-2.43,;27.78,-1.12,;29.12,-1.59,;30.51,-1.21,;29.52,-2.51,;28.11,-1.97,;28.07,-.38,;29.09,.87,;29.07,2.41,;30.49,.31,;27.75,.36,;18.62,-5.54,;17.29,-4.76,;15.96,-5.52,;15.95,-7.06,;17.28,-7.84,;18.62,-7.07,)| Show InChI InChI=1S/C22H32N4O4/c1-2-5-30-20-17(13-23-21(25-20)26-3-6-29-7-4-26)19(27)24-18-15-8-14-9-16(18)12-22(28,10-14)11-15/h13-16,18,28H,2-12H2,1H3,(H,24,27)/t14?,15?,16?,18-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394014
(CHEMBL2158467)Show SMILES CCCSc1nc(NC)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.15,wD:22.24,TLB:19:20:25:17.18.24,19:18:15.20.21:25,23:22:15:17.19.18,THB:14:15:25:17.18.24,24:18:15:21.22.25,24:22:15:17.19.18,(21.02,-29.8,;19.69,-30.57,;18.35,-29.81,;18.35,-28.27,;17.02,-27.5,;15.68,-28.27,;14.35,-27.5,;13.01,-28.27,;11.68,-27.5,;14.35,-25.95,;15.68,-25.18,;17.01,-25.95,;18.34,-25.17,;18.34,-23.63,;19.68,-25.94,;21.01,-25.16,;22.18,-23.86,;23.51,-24.32,;24.9,-23.95,;23.91,-25.24,;22.5,-24.71,;22.46,-23.12,;23.48,-21.87,;23.47,-20.32,;24.88,-22.42,;22.14,-22.37,)| Show InChI InChI=1S/C19H28N4O2S/c1-3-4-26-17-14(10-21-18(20-2)23-17)16(24)22-15-12-5-11-6-13(15)9-19(25,7-11)8-12/h10-13,15,25H,3-9H2,1-2H3,(H,22,24)(H,20,21,23)/t11?,12?,13?,15-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394005
(CHEMBL2158486)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.28.3,28:27:6:4.3.2,THB:8:7:6:4.3.2,28:3:7.27.29:6,2:3:7:29.1.6,2:1:7:4.28.3,(39.78,-24.32,;39.79,-25.87,;41.19,-26.42,;41.21,-27.95,;39.82,-28.32,;38.49,-27.85,;38.45,-26.37,;37.32,-29.16,;35.99,-29.94,;34.65,-29.17,;34.65,-27.63,;33.32,-29.95,;31.99,-29.18,;30.66,-29.95,;30.66,-31.5,;31.99,-32.27,;33.33,-31.5,;34.66,-32.26,;34.65,-33.8,;36.19,-33.81,;36.2,-32.27,;29.32,-32.27,;27.99,-31.49,;26.66,-32.26,;26.65,-33.8,;27.98,-34.57,;29.33,-33.81,;38.81,-28.7,;40.22,-29.24,;38.77,-27.11,)| Show InChI InChI=1S/C23H32N4O3/c28-21(25-19-16-8-14-9-17(19)12-23(29,10-14)11-16)18-13-24-22(27-4-6-30-7-5-27)26-20(18)15-2-1-3-15/h13-17,19,29H,1-12H2,(H,25,28)/t14?,16?,17?,19-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394026
(CHEMBL2158479)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(-6.22,-2.87,;-4.89,-2.1,;-4.89,-.56,;-3.56,.21,;-2.22,-.55,;-.89,.22,;-.9,1.76,;.44,-.54,;1.77,.23,;2.94,1.54,;4.28,1.07,;5.67,1.45,;4.68,.15,;3.26,.69,;3.23,2.28,;4.24,3.53,;4.23,5.07,;5.65,2.97,;2.91,3.02,;-2.22,-2.1,;-3.55,-2.88,;-.99,-3.03,;-1.01,-4.57,;.44,-5.07,;1.37,-3.84,;.49,-2.58,)| Show InChI InChI=1S/C21H29N3O2/c1-12-22-11-17(19(23-12)14-4-2-3-5-14)20(25)24-18-15-6-13-7-16(18)10-21(26,8-13)9-15/h11,13-16,18,26H,2-10H2,1H3,(H,24,25)/t13?,15?,16?,18-,21- | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394009
(CHEMBL2158535)Show SMILES CCCOc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(26.63,-7.07,;25.3,-7.84,;23.96,-7.07,;23.96,-5.53,;22.62,-4.76,;21.29,-5.54,;19.95,-4.76,;19.96,-3.22,;21.28,-2.45,;22.62,-3.21,;23.95,-2.44,;23.94,-.9,;25.29,-3.2,;26.61,-2.43,;27.78,-1.12,;29.12,-1.59,;30.51,-1.21,;29.52,-2.51,;28.11,-1.97,;28.07,-.38,;29.09,.87,;29.07,2.41,;30.49,.31,;27.75,.36,;18.62,-5.54,;17.29,-4.76,;15.96,-5.52,;15.95,-7.06,;17.28,-7.84,;18.62,-7.07,)| Show InChI InChI=1S/C22H32N4O4/c1-2-5-30-20-17(13-23-21(25-20)26-3-6-29-7-4-26)19(27)24-18-15-8-14-9-16(18)12-22(28,10-14)11-15/h13-16,18,28H,2-12H2,1H3,(H,24,27)/t14?,15?,16?,18-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394007
(CHEMBL2158533)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCCCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.30.3,30:29:6:4.3.2,THB:8:7:6:4.3.2,30:3:7.29.31:6,2:3:7:31.1.6,2:1:7:4.30.3,(25.8,-38.85,;25.82,-40.4,;27.22,-40.95,;27.24,-42.48,;25.85,-42.85,;24.52,-42.39,;24.48,-40.9,;23.35,-43.69,;22.02,-44.47,;20.68,-43.7,;20.68,-42.16,;19.35,-44.48,;18.02,-43.71,;16.69,-44.48,;16.68,-46.03,;18.02,-46.8,;19.36,-46.03,;20.69,-46.8,;20.69,-48.34,;22.01,-49.1,;23.35,-48.34,;23.35,-46.8,;22.01,-46.02,;15.35,-46.8,;14.02,-46.03,;12.69,-46.79,;12.68,-48.33,;14.01,-49.1,;15.36,-48.34,;24.84,-43.24,;26.25,-43.77,;24.8,-41.65,)| Show InChI InChI=1S/C25H36N4O3/c30-23(27-21-18-10-16-11-19(21)14-25(31,12-16)13-18)20-15-26-24(29-6-8-32-9-7-29)28-22(20)17-4-2-1-3-5-17/h15-19,21,31H,1-14H2,(H,27,30)/t16?,18?,19?,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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394004
(CHEMBL2158485)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.27.3,27:26:6:4.3.2,THB:8:7:6:4.3.2,27:3:7.26.28:6,2:3:7:28.1.6,2:1:7:4.27.3,(22.49,-24.74,;22.5,-26.29,;23.9,-26.84,;23.92,-28.37,;22.53,-28.74,;21.2,-28.27,;21.16,-26.79,;20.03,-29.58,;18.7,-30.36,;17.36,-29.59,;17.36,-28.05,;16.03,-30.37,;14.7,-29.6,;13.37,-30.37,;13.37,-31.92,;14.7,-32.69,;16.04,-31.92,;17.37,-32.68,;18.14,-34.01,;18.91,-32.68,;12.03,-32.69,;10.7,-31.91,;9.37,-32.68,;9.36,-34.22,;10.69,-34.99,;12.04,-34.23,;21.52,-29.12,;22.93,-29.66,;21.48,-27.53,)| Show InChI InChI=1S/C22H30N4O3/c27-20(24-18-15-7-13-8-16(18)11-22(28,9-13)10-15)17-12-23-21(25-19(17)14-1-2-14)26-3-5-29-6-4-26/h12-16,18,28H,1-11H2,(H,24,27)/t13?,15?,16?,18-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394004
(CHEMBL2158485)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.27.3,27:26:6:4.3.2,THB:8:7:6:4.3.2,27:3:7.26.28:6,2:3:7:28.1.6,2:1:7:4.27.3,(22.49,-24.74,;22.5,-26.29,;23.9,-26.84,;23.92,-28.37,;22.53,-28.74,;21.2,-28.27,;21.16,-26.79,;20.03,-29.58,;18.7,-30.36,;17.36,-29.59,;17.36,-28.05,;16.03,-30.37,;14.7,-29.6,;13.37,-30.37,;13.37,-31.92,;14.7,-32.69,;16.04,-31.92,;17.37,-32.68,;18.14,-34.01,;18.91,-32.68,;12.03,-32.69,;10.7,-31.91,;9.37,-32.68,;9.36,-34.22,;10.69,-34.99,;12.04,-34.23,;21.52,-29.12,;22.93,-29.66,;21.48,-27.53,)| Show InChI InChI=1S/C22H30N4O3/c27-20(24-18-15-7-13-8-16(18)11-22(28,9-13)10-15)17-12-23-21(25-19(17)14-1-2-14)26-3-5-29-6-4-26/h12-16,18,28H,1-11H2,(H,24,27)/t13?,15?,16?,18-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394027
(CHEMBL2158480)Show SMILES Cc1ccc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(14.59,-3.52,;15.93,-2.75,;15.93,-1.21,;17.26,-.43,;18.59,-1.2,;19.92,-.42,;19.92,1.12,;21.26,-1.19,;22.59,-.41,;23.76,.89,;25.09,.43,;26.48,.8,;25.49,-.5,;24.08,.04,;24.04,1.63,;25.06,2.88,;25.05,4.43,;26.47,2.33,;23.72,2.38,;18.6,-2.75,;17.26,-3.52,;19.93,-3.51,;20.7,-4.85,;21.47,-3.51,)| Show InChI InChI=1S/C20H26N2O2/c1-11-2-5-16(18(21-11)13-3-4-13)19(23)22-17-14-6-12-7-15(17)10-20(24,8-12)9-14/h2,5,12-15,17,24H,3-4,6-10H2,1H3,(H,22,23)/t12?,14?,15?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394008
(CHEMBL2158534)Show SMILES CC1(CC1)c1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.14,wD:20.23,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.24,-7.09,;2.34,-6,;3.11,-7.33,;3.88,-5.99,;1,-5.23,;-.33,-6,;-1.67,-5.23,;-1.67,-3.69,;-.34,-2.92,;1,-3.68,;2.33,-2.9,;2.32,-1.36,;3.66,-3.67,;4.99,-2.9,;6.16,-1.59,;7.5,-2.05,;8.89,-1.68,;7.9,-2.98,;6.48,-2.44,;6.45,-.85,;7.46,.4,;7.45,1.94,;8.87,-.15,;6.13,-.1,;-3,-6,;-4.33,-5.23,;-5.66,-5.99,;-5.67,-7.53,;-4.34,-8.31,;-3,-7.54,)| Show InChI InChI=1S/C23H32N4O3/c1-22(2-3-22)19-17(13-24-21(26-19)27-4-6-30-7-5-27)20(28)25-18-15-8-14-9-16(18)12-23(29,10-14)11-15/h13-16,18,29H,2-12H2,1H3,(H,25,28)/t14?,15?,16?,18-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394027
(CHEMBL2158480)Show SMILES Cc1ccc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(14.59,-3.52,;15.93,-2.75,;15.93,-1.21,;17.26,-.43,;18.59,-1.2,;19.92,-.42,;19.92,1.12,;21.26,-1.19,;22.59,-.41,;23.76,.89,;25.09,.43,;26.48,.8,;25.49,-.5,;24.08,.04,;24.04,1.63,;25.06,2.88,;25.05,4.43,;26.47,2.33,;23.72,2.38,;18.6,-2.75,;17.26,-3.52,;19.93,-3.51,;20.7,-4.85,;21.47,-3.51,)| Show InChI InChI=1S/C20H26N2O2/c1-11-2-5-16(18(21-11)13-3-4-13)19(23)22-17-14-6-12-7-15(17)10-20(24,8-12)9-14/h2,5,12-15,17,24H,3-4,6-10H2,1H3,(H,22,23)/t12?,14?,15?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394018
(CHEMBL2158471)Show SMILES CCCSc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(23.49,-4.45,;22.16,-5.23,;20.83,-4.46,;20.83,-2.92,;19.49,-2.15,;18.15,-2.92,;16.82,-2.15,;16.82,-.61,;18.15,.16,;19.48,-.6,;20.82,.18,;20.81,1.72,;22.15,-.59,;23.48,.18,;24.65,1.49,;25.99,1.03,;27.38,1.4,;26.39,.1,;24.97,.64,;24.94,2.23,;25.95,3.48,;25.94,5.02,;27.36,2.93,;24.61,2.98,;15.49,-2.92,;14.16,-2.14,;12.83,-2.9,;12.82,-4.44,;14.15,-5.22,;15.49,-4.45,)| Show InChI InChI=1S/C22H32N4O3S/c1-2-7-30-20-17(13-23-21(25-20)26-3-5-29-6-4-26)19(27)24-18-15-8-14-9-16(18)12-22(28,10-14)11-15/h13-16,18,28H,2-12H2,1H3,(H,24,27)/t14?,15?,16?,18-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394011
(CHEMBL2158464)Show SMILES CCCSc1nc(C)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:18:19:24:16.17.23,18:17:14.19.20:24,22:21:14:16.18.17,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(1.43,-17.15,;.1,-17.92,;-1.24,-17.15,;-1.24,-15.61,;-2.58,-14.84,;-3.91,-15.62,;-5.25,-14.84,;-6.58,-15.61,;-5.24,-13.3,;-3.92,-12.53,;-2.58,-13.29,;-1.25,-12.52,;-1.26,-10.98,;.09,-13.28,;1.41,-12.51,;2.58,-11.2,;3.92,-11.67,;5.31,-11.29,;4.32,-12.59,;2.91,-12.05,;2.87,-10.46,;3.89,-9.21,;3.87,-7.67,;5.29,-9.77,;2.55,-9.72,)| Show InChI InChI=1S/C20H28N2O2S/c1-3-6-25-19-16(5-4-12(2)21-19)18(23)22-17-14-7-13-8-15(17)11-20(24,9-13)10-14/h4-5,13-15,17,24H,3,6-11H2,1-2H3,(H,22,23)/t13?,14?,15?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394005
(CHEMBL2158486)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.28.3,28:27:6:4.3.2,THB:8:7:6:4.3.2,28:3:7.27.29:6,2:3:7:29.1.6,2:1:7:4.28.3,(39.78,-24.32,;39.79,-25.87,;41.19,-26.42,;41.21,-27.95,;39.82,-28.32,;38.49,-27.85,;38.45,-26.37,;37.32,-29.16,;35.99,-29.94,;34.65,-29.17,;34.65,-27.63,;33.32,-29.95,;31.99,-29.18,;30.66,-29.95,;30.66,-31.5,;31.99,-32.27,;33.33,-31.5,;34.66,-32.26,;34.65,-33.8,;36.19,-33.81,;36.2,-32.27,;29.32,-32.27,;27.99,-31.49,;26.66,-32.26,;26.65,-33.8,;27.98,-34.57,;29.33,-33.81,;38.81,-28.7,;40.22,-29.24,;38.77,-27.11,)| Show InChI InChI=1S/C23H32N4O3/c28-21(25-19-16-8-14-9-17(19)12-23(29,10-14)11-16)18-13-24-22(27-4-6-30-7-5-27)26-20(18)15-2-1-3-15/h13-17,19,29H,1-12H2,(H,25,28)/t14?,16?,17?,19-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394016
(CHEMBL2158469)Show SMILES CCCSc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(23.18,-44.42,;21.85,-45.2,;20.52,-44.43,;20.51,-42.89,;19.18,-42.12,;17.84,-42.89,;16.51,-42.12,;16.51,-40.58,;17.84,-39.81,;19.17,-40.57,;20.5,-39.79,;20.5,-38.25,;21.84,-40.56,;23.17,-39.79,;24.34,-38.48,;25.68,-38.94,;27.07,-38.57,;26.08,-39.87,;24.66,-39.33,;24.62,-37.74,;25.64,-36.49,;25.63,-34.95,;27.05,-37.04,;24.3,-36.99,;15.17,-42.89,;13.84,-42.12,;15.17,-44.43,)| Show InChI InChI=1S/C20H30N4O2S/c1-4-5-27-18-15(11-21-19(23-18)24(2)3)17(25)22-16-13-6-12-7-14(16)10-20(26,8-12)9-13/h11-14,16,26H,4-10H2,1-3H3,(H,22,25)/t12?,13?,14?,16-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394025
(CHEMBL2158478)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(23.66,-38.18,;24.99,-37.41,;24.99,-35.87,;26.32,-35.1,;27.66,-35.86,;28.99,-35.09,;28.98,-33.55,;30.32,-35.85,;31.65,-35.08,;32.82,-33.77,;34.16,-34.24,;35.55,-33.86,;34.56,-35.16,;33.14,-34.62,;33.11,-33.03,;34.12,-31.78,;34.11,-30.24,;35.53,-32.33,;32.79,-32.29,;27.66,-37.41,;26.32,-38.19,;29,-38.18,;29.77,-39.51,;30.54,-38.18,)| Show InChI InChI=1S/C19H25N3O2/c1-10-20-9-15(17(21-10)12-2-3-12)18(23)22-16-13-4-11-5-14(16)8-19(24,6-11)7-13/h9,11-14,16,24H,2-8H2,1H3,(H,22,23)/t11?,13?,14?,16-,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 | 395 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394021
(CHEMBL2158474)Show SMILES CC(C)Cc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:22:21:14:16.18.17,18:19:24:16.17.23,18:17:14.19.20:24,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(1.03,-27.07,;-.3,-26.31,;-1.64,-27.08,;-.31,-24.77,;-1.64,-24,;-2.98,-24.77,;-4.31,-24,;-5.65,-24.77,;-4.31,-22.45,;-2.98,-21.68,;-1.65,-22.45,;-.32,-21.67,;-.32,-20.13,;1.02,-22.44,;2.35,-21.66,;3.52,-20.36,;4.86,-20.82,;6.24,-20.45,;5.25,-21.74,;3.84,-21.21,;3.8,-19.62,;4.82,-18.37,;4.81,-16.82,;6.23,-18.92,;3.48,-18.87,)| Show InChI InChI=1S/C20H29N3O2/c1-11(2)4-17-16(10-21-12(3)22-17)19(24)23-18-14-5-13-6-15(18)9-20(25,7-13)8-14/h10-11,13-15,18,25H,4-9H2,1-3H3,(H,23,24)/t13?,14?,15?,18-,20- | 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 | 644 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394006
(CHEMBL2158532)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.29.3,29:28:6:4.3.2,THB:8:7:6:4.3.2,29:3:7.28.30:6,2:3:7:30.1.6,2:1:7:4.29.3,(6.13,-38.89,;6.14,-40.43,;7.55,-40.99,;7.57,-42.51,;6.18,-42.89,;4.84,-42.42,;4.8,-40.94,;3.67,-43.73,;2.34,-44.5,;1.01,-43.74,;1,-42.2,;-.33,-44.51,;-1.66,-43.75,;-2.99,-44.52,;-2.99,-46.06,;-1.66,-46.84,;-.32,-46.06,;.92,-46.98,;.91,-48.51,;2.38,-49,;3.29,-47.75,;2.39,-46.5,;-4.32,-46.84,;-5.66,-46.06,;-6.99,-46.82,;-7,-48.36,;-5.66,-49.14,;-4.32,-48.37,;5.16,-43.27,;6.58,-43.81,;5.13,-41.68,)| Show InChI InChI=1S/C24H34N4O3/c29-22(26-20-17-9-15-10-18(20)13-24(30,11-15)12-17)19-14-25-23(28-5-7-31-8-6-28)27-21(19)16-3-1-2-4-16/h14-18,20,30H,1-13H2,(H,26,29)/t15?,17?,18?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 784 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394007
(CHEMBL2158533)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCCCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.30.3,30:29:6:4.3.2,THB:8:7:6:4.3.2,30:3:7.29.31:6,2:3:7:31.1.6,2:1:7:4.30.3,(25.8,-38.85,;25.82,-40.4,;27.22,-40.95,;27.24,-42.48,;25.85,-42.85,;24.52,-42.39,;24.48,-40.9,;23.35,-43.69,;22.02,-44.47,;20.68,-43.7,;20.68,-42.16,;19.35,-44.48,;18.02,-43.71,;16.69,-44.48,;16.68,-46.03,;18.02,-46.8,;19.36,-46.03,;20.69,-46.8,;20.69,-48.34,;22.01,-49.1,;23.35,-48.34,;23.35,-46.8,;22.01,-46.02,;15.35,-46.8,;14.02,-46.03,;12.69,-46.79,;12.68,-48.33,;14.01,-49.1,;15.36,-48.34,;24.84,-43.24,;26.25,-43.77,;24.8,-41.65,)| Show InChI InChI=1S/C25H36N4O3/c30-23(27-21-18-10-16-11-19(21)14-25(31,12-16)13-18)20-15-26-24(29-6-8-32-9-7-29)28-22(20)17-4-2-1-3-5-17/h15-19,21,31H,1-14H2,(H,27,30)/t16?,18?,19?,21-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 831 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394023
(CHEMBL2158476)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CCCC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(-7.86,-39.76,;-6.52,-38.99,;-6.52,-37.45,;-5.19,-36.68,;-3.86,-37.44,;-2.53,-36.67,;-2.53,-35.13,;-1.19,-37.43,;.14,-36.66,;1.31,-35.35,;2.65,-35.82,;4.04,-35.44,;3.05,-36.74,;1.63,-36.2,;1.59,-34.61,;2.61,-33.36,;2.6,-31.82,;4.02,-33.92,;1.27,-33.87,;-3.85,-38.99,;-2.52,-39.76,;-2.51,-41.3,;-3.76,-42.21,;-3.28,-43.67,;-1.74,-43.67,;-1.27,-42.21,;-5.19,-39.77,)| Show InChI InChI=1S/C22H31N3O2/c1-13-23-12-18(19(24-13)8-14-4-2-3-5-14)21(26)25-20-16-6-15-7-17(20)11-22(27,9-15)10-16/h12,14-17,20,27H,2-11H2,1H3,(H,25,26)/t15?,16?,17?,20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 847 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50392222
(CHEMBL2153178)Show SMILES CCCSc1ncccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:23:20:14.13.15:17,21:20:14.13.15:17| Show InChI InChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)/t12?,13-,14+,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 922 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394008
(CHEMBL2158534)Show SMILES CC1(CC1)c1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.14,wD:20.23,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.24,-7.09,;2.34,-6,;3.11,-7.33,;3.88,-5.99,;1,-5.23,;-.33,-6,;-1.67,-5.23,;-1.67,-3.69,;-.34,-2.92,;1,-3.68,;2.33,-2.9,;2.32,-1.36,;3.66,-3.67,;4.99,-2.9,;6.16,-1.59,;7.5,-2.05,;8.89,-1.68,;7.9,-2.98,;6.48,-2.44,;6.45,-.85,;7.46,.4,;7.45,1.94,;8.87,-.15,;6.13,-.1,;-3,-6,;-4.33,-5.23,;-5.66,-5.99,;-5.67,-7.53,;-4.34,-8.31,;-3,-7.54,)| Show InChI InChI=1S/C23H32N4O3/c1-22(2-3-22)19-17(13-24-21(26-19)27-4-6-30-7-5-27)20(28)25-18-15-8-14-9-16(18)12-23(29,10-14)11-15/h13-16,18,29H,2-12H2,1H3,(H,25,28)/t14?,15?,16?,18-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394022
(CHEMBL2158475)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(16.69,-26.29,;18.02,-25.52,;18.03,-23.98,;19.36,-23.21,;20.69,-23.97,;22.02,-23.2,;22.02,-21.66,;23.36,-23.96,;24.69,-23.19,;25.86,-21.88,;27.19,-22.35,;28.58,-21.97,;27.59,-23.27,;26.18,-22.73,;26.14,-21.14,;27.16,-19.89,;27.14,-18.35,;28.56,-20.44,;25.82,-20.4,;20.7,-25.52,;22.03,-26.29,;22.03,-27.83,;21.27,-29.16,;22.81,-29.16,;19.36,-26.29,)| Show InChI InChI=1S/C20H27N3O2/c1-11-21-10-16(17(22-11)6-12-2-3-12)19(24)23-18-14-4-13-5-15(18)9-20(25,7-13)8-14/h10,12-15,18,25H,2-9H2,1H3,(H,23,24)/t13?,14?,15?,18-,20- | 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 | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394012
(CHEMBL2158465)Show SMILES CCCSc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:18:19:24:16.17.23,18:17:14.19.20:24,22:21:14:16.18.17,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(18.17,-16.91,;16.83,-17.69,;15.5,-16.92,;15.5,-15.38,;14.16,-14.61,;12.83,-15.38,;11.49,-14.61,;10.16,-15.38,;11.49,-13.07,;12.82,-12.3,;14.16,-13.06,;15.49,-12.28,;15.48,-10.74,;16.82,-13.05,;18.15,-12.28,;19.32,-10.97,;20.66,-11.43,;22.05,-11.06,;21.06,-12.36,;19.64,-11.82,;19.61,-10.23,;20.62,-8.98,;20.61,-7.44,;22.03,-9.53,;19.29,-9.48,)| Show InChI InChI=1S/C19H27N3O2S/c1-3-4-25-18-15(10-20-11(2)21-18)17(23)22-16-13-5-12-6-14(16)9-19(24,7-12)8-13/h10,12-14,16,24H,3-9H2,1-2H3,(H,22,23)/t12?,13?,14?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394010
(CHEMBL2158007)Show SMILES CCCSc1ncncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(16.53,-3.98,;15.2,-4.75,;13.87,-3.98,;13.86,-2.44,;12.53,-1.68,;11.19,-2.45,;9.86,-1.68,;9.86,-.13,;11.19,.64,;12.52,-.13,;13.85,.65,;13.85,2.19,;15.19,-.12,;16.52,.66,;17.69,1.97,;19.03,1.5,;20.42,1.87,;19.43,.58,;18.01,1.12,;17.97,2.71,;18.99,3.95,;18.98,5.5,;20.4,3.4,;17.65,3.45,)| Show InChI InChI=1S/C18H25N3O2S/c1-2-3-24-17-14(9-19-10-20-17)16(22)21-15-12-4-11-5-13(15)8-18(23,6-11)7-12/h9-13,15,23H,2-8H2,1H3,(H,21,22)/t11?,12?,13?,15-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394019
(CHEMBL2158472)Show SMILES CCCCc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:22:21:14:16.18.17,18:19:24:16.17.23,18:17:14.19.20:24,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(1.02,-15.09,;-.31,-15.86,;-1.64,-15.09,;-1.64,-13.55,;-2.98,-12.78,;-4.32,-13.55,;-5.65,-12.78,;-6.99,-13.55,;-5.65,-11.24,;-4.32,-10.47,;-2.99,-11.23,;-1.65,-10.46,;-1.66,-8.92,;-.32,-11.22,;1.01,-10.45,;2.18,-9.14,;3.52,-9.61,;4.91,-9.23,;3.92,-10.53,;2.5,-9.99,;2.47,-8.4,;3.48,-7.15,;3.47,-5.61,;4.89,-7.7,;2.14,-7.66,)| Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-17-16(11-21-12(2)22-17)19(24)23-18-14-6-13-7-15(18)10-20(25,8-13)9-14/h11,13-15,18,25H,3-10H2,1-2H3,(H,23,24)/t13?,14?,15?,18-,20- | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394003
(CHEMBL2158484)Show SMILES CC(C)(C)c1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.27,-31.92,;-.06,-32.69,;-1.16,-33.78,;.7,-34.02,;-1.39,-31.92,;-2.73,-32.7,;-4.06,-31.92,;-4.06,-30.38,;-2.73,-29.61,;-1.4,-30.37,;-.07,-29.6,;-.07,-28.06,;1.27,-30.36,;2.6,-29.59,;3.77,-28.28,;5.1,-28.75,;6.49,-28.37,;5.5,-29.67,;4.09,-29.13,;4.05,-27.54,;5.07,-26.29,;5.06,-24.75,;6.47,-26.85,;3.73,-26.8,;-5.4,-32.7,;-6.73,-31.92,;-8.06,-32.68,;-8.07,-34.22,;-6.74,-35,;-5.39,-34.23,)| Show InChI InChI=1S/C23H34N4O3/c1-22(2,3)19-17(13-24-21(26-19)27-4-6-30-7-5-27)20(28)25-18-15-8-14-9-16(18)12-23(29,10-14)11-15/h13-16,18,29H,4-12H2,1-3H3,(H,25,28)/t14?,15?,16?,18-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394002
(CHEMBL2158483)Show SMILES Cc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:10.10,wD:17.19,TLB:18:17:10:12.14.13,14:15:20:12.13.19,14:13:10.15.16:20,THB:9:10:20:12.13.19,19:13:10:16.17.20,19:17:10:12.14.13,(33.78,-17.97,;32.45,-17.2,;31.11,-17.97,;29.78,-17.2,;29.78,-15.66,;31.11,-14.89,;32.44,-15.65,;33.77,-14.87,;33.77,-13.33,;35.11,-15.64,;36.44,-14.87,;37.61,-13.56,;38.95,-14.02,;40.33,-13.65,;39.34,-14.95,;37.93,-14.41,;37.89,-12.82,;38.91,-11.57,;38.9,-10.03,;40.32,-12.12,;37.57,-12.07,;28.44,-17.97,;27.11,-17.2,;25.78,-17.96,;25.77,-19.5,;27.1,-20.28,;28.45,-19.51,)| Show InChI InChI=1S/C20H28N4O3/c1-12-16(11-21-19(22-12)24-2-4-27-5-3-24)18(25)23-17-14-6-13-7-15(17)10-20(26,8-13)9-14/h11,13-15,17,26H,2-10H2,1H3,(H,23,25)/t13?,14?,15?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394002
(CHEMBL2158483)Show SMILES Cc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:10.10,wD:17.19,TLB:18:17:10:12.14.13,14:15:20:12.13.19,14:13:10.15.16:20,THB:9:10:20:12.13.19,19:13:10:16.17.20,19:17:10:12.14.13,(33.78,-17.97,;32.45,-17.2,;31.11,-17.97,;29.78,-17.2,;29.78,-15.66,;31.11,-14.89,;32.44,-15.65,;33.77,-14.87,;33.77,-13.33,;35.11,-15.64,;36.44,-14.87,;37.61,-13.56,;38.95,-14.02,;40.33,-13.65,;39.34,-14.95,;37.93,-14.41,;37.89,-12.82,;38.91,-11.57,;38.9,-10.03,;40.32,-12.12,;37.57,-12.07,;28.44,-17.97,;27.11,-17.2,;25.78,-17.96,;25.77,-19.5,;27.1,-20.28,;28.45,-19.51,)| Show InChI InChI=1S/C20H28N4O3/c1-12-16(11-21-19(22-12)24-2-4-27-5-3-24)18(25)23-17-14-6-13-7-15(17)10-20(26,8-13)9-14/h11,13-15,17,26H,2-10H2,1H3,(H,23,25)/t13?,14?,15?,17-,20- | 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 | 5.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394020
(CHEMBL2158473)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C(C)(C)C |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(13.42,-15.26,;14.76,-14.49,;14.76,-12.95,;16.09,-12.18,;17.42,-12.94,;18.75,-12.17,;18.75,-10.63,;20.09,-12.93,;21.42,-12.16,;22.59,-10.85,;23.93,-11.32,;25.32,-10.94,;24.33,-12.24,;22.91,-11.7,;22.87,-10.11,;23.89,-8.86,;23.88,-7.32,;25.3,-9.42,;22.55,-9.37,;17.43,-14.49,;16.09,-15.27,;18.76,-15.26,;20.1,-14.49,;17.98,-16.59,;19.52,-16.59,)| Show InChI InChI=1S/C20H29N3O2/c1-11-21-10-15(17(22-11)19(2,3)4)18(24)23-16-13-5-12-6-14(16)9-20(25,7-12)8-13/h10,12-14,16,25H,5-9H2,1-4H3,(H,23,24)/t12?,13?,14?,16-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394025
(CHEMBL2158478)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(23.66,-38.18,;24.99,-37.41,;24.99,-35.87,;26.32,-35.1,;27.66,-35.86,;28.99,-35.09,;28.98,-33.55,;30.32,-35.85,;31.65,-35.08,;32.82,-33.77,;34.16,-34.24,;35.55,-33.86,;34.56,-35.16,;33.14,-34.62,;33.11,-33.03,;34.12,-31.78,;34.11,-30.24,;35.53,-32.33,;32.79,-32.29,;27.66,-37.41,;26.32,-38.19,;29,-38.18,;29.77,-39.51,;30.54,-38.18,)| Show InChI InChI=1S/C19H25N3O2/c1-10-20-9-15(17(21-10)12-2-3-12)18(23)22-16-13-4-11-5-14(16)8-19(24,6-11)7-13/h9,11-14,16,24H,2-8H2,1H3,(H,22,23)/t11?,13?,14?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50394024
(CHEMBL2158477)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)-c1ccccc1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(8.64,-40.39,;9.97,-39.62,;9.98,-38.08,;11.31,-37.31,;12.64,-38.07,;13.97,-37.3,;13.97,-35.76,;15.31,-38.06,;16.64,-37.29,;17.81,-35.98,;19.14,-36.45,;20.53,-36.07,;19.54,-37.37,;18.13,-36.83,;18.09,-35.24,;19.11,-33.99,;19.09,-32.45,;20.51,-34.55,;17.77,-34.5,;12.65,-39.62,;11.31,-40.4,;13.98,-40.39,;13.97,-41.93,;15.31,-42.7,;16.64,-41.93,;16.63,-40.38,;15.3,-39.62,)| Show InChI InChI=1S/C22H25N3O2/c1-13-23-12-18(20(24-13)15-5-3-2-4-6-15)21(26)25-19-16-7-14-8-17(19)11-22(27,9-14)10-16/h2-6,12,14,16-17,19,27H,7-11H2,1H3,(H,25,26)/t14?,16?,17?,19-,22- | 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 | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394003
(CHEMBL2158484)Show SMILES CC(C)(C)c1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.27,-31.92,;-.06,-32.69,;-1.16,-33.78,;.7,-34.02,;-1.39,-31.92,;-2.73,-32.7,;-4.06,-31.92,;-4.06,-30.38,;-2.73,-29.61,;-1.4,-30.37,;-.07,-29.6,;-.07,-28.06,;1.27,-30.36,;2.6,-29.59,;3.77,-28.28,;5.1,-28.75,;6.49,-28.37,;5.5,-29.67,;4.09,-29.13,;4.05,-27.54,;5.07,-26.29,;5.06,-24.75,;6.47,-26.85,;3.73,-26.8,;-5.4,-32.7,;-6.73,-31.92,;-8.06,-32.68,;-8.07,-34.22,;-6.74,-35,;-5.39,-34.23,)| Show InChI InChI=1S/C23H34N4O3/c1-22(2,3)19-17(13-24-21(26-19)27-4-6-30-7-5-27)20(28)25-18-15-8-14-9-16(18)12-23(29,10-14)11-15/h13-16,18,29H,4-12H2,1-3H3,(H,25,28)/t14?,15?,16?,18-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394020
(CHEMBL2158473)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C(C)(C)C |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(13.42,-15.26,;14.76,-14.49,;14.76,-12.95,;16.09,-12.18,;17.42,-12.94,;18.75,-12.17,;18.75,-10.63,;20.09,-12.93,;21.42,-12.16,;22.59,-10.85,;23.93,-11.32,;25.32,-10.94,;24.33,-12.24,;22.91,-11.7,;22.87,-10.11,;23.89,-8.86,;23.88,-7.32,;25.3,-9.42,;22.55,-9.37,;17.43,-14.49,;16.09,-15.27,;18.76,-15.26,;20.1,-14.49,;17.98,-16.59,;19.52,-16.59,)| Show InChI InChI=1S/C20H29N3O2/c1-11-21-10-15(17(22-11)19(2,3)4)18(24)23-16-13-5-12-6-14(16)9-20(25,7-12)8-13/h10,12-14,16,25H,5-9H2,1-4H3,(H,23,24)/t12?,13?,14?,16-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394019
(CHEMBL2158472)Show SMILES CCCCc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:22:21:14:16.18.17,18:19:24:16.17.23,18:17:14.19.20:24,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(1.02,-15.09,;-.31,-15.86,;-1.64,-15.09,;-1.64,-13.55,;-2.98,-12.78,;-4.32,-13.55,;-5.65,-12.78,;-6.99,-13.55,;-5.65,-11.24,;-4.32,-10.47,;-2.99,-11.23,;-1.65,-10.46,;-1.66,-8.92,;-.32,-11.22,;1.01,-10.45,;2.18,-9.14,;3.52,-9.61,;4.91,-9.23,;3.92,-10.53,;2.5,-9.99,;2.47,-8.4,;3.48,-7.15,;3.47,-5.61,;4.89,-7.7,;2.14,-7.66,)| Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-17-16(11-21-12(2)22-17)19(24)23-18-14-6-13-7-15(18)10-20(25,8-13)9-14/h11,13-15,18,25H,3-10H2,1-2H3,(H,23,24)/t13?,14?,15?,18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394022
(CHEMBL2158475)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(16.69,-26.29,;18.02,-25.52,;18.03,-23.98,;19.36,-23.21,;20.69,-23.97,;22.02,-23.2,;22.02,-21.66,;23.36,-23.96,;24.69,-23.19,;25.86,-21.88,;27.19,-22.35,;28.58,-21.97,;27.59,-23.27,;26.18,-22.73,;26.14,-21.14,;27.16,-19.89,;27.14,-18.35,;28.56,-20.44,;25.82,-20.4,;20.7,-25.52,;22.03,-26.29,;22.03,-27.83,;21.27,-29.16,;22.81,-29.16,;19.36,-26.29,)| Show InChI InChI=1S/C20H27N3O2/c1-11-21-10-16(17(22-11)6-12-2-3-12)19(24)23-18-14-4-13-5-15(18)9-20(25,7-13)8-14/h10,12-15,18,25H,2-9H2,1H3,(H,23,24)/t13?,14?,15?,18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50394004
(CHEMBL2158485)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.27.3,27:26:6:4.3.2,THB:8:7:6:4.3.2,27:3:7.26.28:6,2:3:7:28.1.6,2:1:7:4.27.3,(22.49,-24.74,;22.5,-26.29,;23.9,-26.84,;23.92,-28.37,;22.53,-28.74,;21.2,-28.27,;21.16,-26.79,;20.03,-29.58,;18.7,-30.36,;17.36,-29.59,;17.36,-28.05,;16.03,-30.37,;14.7,-29.6,;13.37,-30.37,;13.37,-31.92,;14.7,-32.69,;16.04,-31.92,;17.37,-32.68,;18.14,-34.01,;18.91,-32.68,;12.03,-32.69,;10.7,-31.91,;9.37,-32.68,;9.36,-34.22,;10.69,-34.99,;12.04,-34.23,;21.52,-29.12,;22.93,-29.66,;21.48,-27.53,)| Show InChI InChI=1S/C22H30N4O3/c27-20(24-18-15-7-13-8-16(18)11-22(28,9-13)10-15)17-12-23-21(25-19(17)14-1-2-14)26-3-5-29-6-4-26/h12-16,18,28H,1-11H2,(H,24,27)/t13?,15?,16?,18-,22- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD2 |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394021
(CHEMBL2158474)Show SMILES CC(C)Cc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:22:21:14:16.18.17,18:19:24:16.17.23,18:17:14.19.20:24,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(1.03,-27.07,;-.3,-26.31,;-1.64,-27.08,;-.31,-24.77,;-1.64,-24,;-2.98,-24.77,;-4.31,-24,;-5.65,-24.77,;-4.31,-22.45,;-2.98,-21.68,;-1.65,-22.45,;-.32,-21.67,;-.32,-20.13,;1.02,-22.44,;2.35,-21.66,;3.52,-20.36,;4.86,-20.82,;6.24,-20.45,;5.25,-21.74,;3.84,-21.21,;3.8,-19.62,;4.82,-18.37,;4.81,-16.82,;6.23,-18.92,;3.48,-18.87,)| Show InChI InChI=1S/C20H29N3O2/c1-11(2)4-17-16(10-21-12(3)22-17)19(24)23-18-14-5-13-6-15(18)9-20(25,7-13)8-14/h10-11,13-15,18,25H,4-9H2,1-3H3,(H,23,24)/t13?,14?,15?,18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394023
(CHEMBL2158476)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CCCC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(-7.86,-39.76,;-6.52,-38.99,;-6.52,-37.45,;-5.19,-36.68,;-3.86,-37.44,;-2.53,-36.67,;-2.53,-35.13,;-1.19,-37.43,;.14,-36.66,;1.31,-35.35,;2.65,-35.82,;4.04,-35.44,;3.05,-36.74,;1.63,-36.2,;1.59,-34.61,;2.61,-33.36,;2.6,-31.82,;4.02,-33.92,;1.27,-33.87,;-3.85,-38.99,;-2.52,-39.76,;-2.51,-41.3,;-3.76,-42.21,;-3.28,-43.67,;-1.74,-43.67,;-1.27,-42.21,;-5.19,-39.77,)| Show InChI InChI=1S/C22H31N3O2/c1-13-23-12-18(19(24-13)8-14-4-2-3-5-14)21(26)25-20-16-6-15-7-17(20)11-22(27,9-15)10-16/h12,14-17,20,27H,2-11H2,1H3,(H,25,26)/t15?,16?,17?,20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394026
(CHEMBL2158479)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(-6.22,-2.87,;-4.89,-2.1,;-4.89,-.56,;-3.56,.21,;-2.22,-.55,;-.89,.22,;-.9,1.76,;.44,-.54,;1.77,.23,;2.94,1.54,;4.28,1.07,;5.67,1.45,;4.68,.15,;3.26,.69,;3.23,2.28,;4.24,3.53,;4.23,5.07,;5.65,2.97,;2.91,3.02,;-2.22,-2.1,;-3.55,-2.88,;-.99,-3.03,;-1.01,-4.57,;.44,-5.07,;1.37,-3.84,;.49,-2.58,)| Show InChI InChI=1S/C21H29N3O2/c1-12-22-11-17(19(23-12)14-4-2-3-5-14)20(25)24-18-15-6-13-7-16(18)10-21(26,8-13)9-15/h11,13-16,18,26H,2-10H2,1H3,(H,24,25)/t13?,15?,16?,18-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394024
(CHEMBL2158477)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)-c1ccccc1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(8.64,-40.39,;9.97,-39.62,;9.98,-38.08,;11.31,-37.31,;12.64,-38.07,;13.97,-37.3,;13.97,-35.76,;15.31,-38.06,;16.64,-37.29,;17.81,-35.98,;19.14,-36.45,;20.53,-36.07,;19.54,-37.37,;18.13,-36.83,;18.09,-35.24,;19.11,-33.99,;19.09,-32.45,;20.51,-34.55,;17.77,-34.5,;12.65,-39.62,;11.31,-40.4,;13.98,-40.39,;13.97,-41.93,;15.31,-42.7,;16.64,-41.93,;16.63,-40.38,;15.3,-39.62,)| Show InChI InChI=1S/C22H25N3O2/c1-13-23-12-18(20(24-13)15-5-3-2-4-6-15)21(26)25-19-16-7-14-8-17(19)11-22(27,9-14)10-16/h2-6,12,14,16-17,19,27H,7-11H2,1H3,(H,25,26)/t14?,16?,17?,19-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394004
(CHEMBL2158485)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.27.3,27:26:6:4.3.2,THB:8:7:6:4.3.2,27:3:7.26.28:6,2:3:7:28.1.6,2:1:7:4.27.3,(22.49,-24.74,;22.5,-26.29,;23.9,-26.84,;23.92,-28.37,;22.53,-28.74,;21.2,-28.27,;21.16,-26.79,;20.03,-29.58,;18.7,-30.36,;17.36,-29.59,;17.36,-28.05,;16.03,-30.37,;14.7,-29.6,;13.37,-30.37,;13.37,-31.92,;14.7,-32.69,;16.04,-31.92,;17.37,-32.68,;18.14,-34.01,;18.91,-32.68,;12.03,-32.69,;10.7,-31.91,;9.37,-32.68,;9.36,-34.22,;10.69,-34.99,;12.04,-34.23,;21.52,-29.12,;22.93,-29.66,;21.48,-27.53,)| Show InChI InChI=1S/C22H30N4O3/c27-20(24-18-15-7-13-8-16(18)11-22(28,9-13)10-15)17-12-23-21(25-19(17)14-1-2-14)26-3-5-29-6-4-26/h12-16,18,28H,1-11H2,(H,24,27)/t13?,15?,16?,18-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by Ionworks assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this
Ligand-Target Pair | |
Search and Browse
