Found 85 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
(Mus musculus (mouse)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192792
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192797
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)| Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192792
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192797
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)| Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192798
(CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192790
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxy...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)| Show InChI InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/m0/s1 | 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192785
(CHEMBL385176 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)| Show InChI InChI=1S/C22H28N4O3/c1-21(2,29-18-4-3-13(11-23)12-25-18)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-17(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192795
(CHEMBL219081 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:20:26.18.17,THB:16:15:20:26.18.17,16:17:20:27.15.14,(21.35,-50.44,;20.01,-51.2,;18.69,-50.43,;17.34,-51.18,;16.02,-50.39,;16.05,-48.85,;17.38,-48.1,;18.7,-48.88,;14.73,-48.06,;16.05,-47.28,;13.4,-47.29,;13.39,-48.82,;13.37,-50.36,;12.06,-48.04,;10.78,-48.89,;10.77,-50.41,;9.75,-51.69,;8.35,-51.13,;8.34,-49.54,;9.38,-48.31,;8.04,-48.79,;8.04,-50.27,;6.71,-49.49,;5.37,-50.26,;4.03,-49.48,;5.36,-51.8,;6.85,-51.55,;9.37,-50.76,)| Show InChI InChI=1S/C22H32N4O2/c1-21(2,16-4-5-18(24-3)25-12-16)20(28)26-19-14-6-13-7-15(19)10-22(8-13,9-14)11-17(23)27/h4-5,12-15,19H,6-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)/t13-,14-,15?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192800
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)| Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1 | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192787
(CHEMBL219136 | N-[(1R,2S,5S,7S)-5-(5-amino-4H-[1,2...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nnc(N)[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(24.4,3.24,;23.08,2.46,;21.75,3.24,;24.41,1.68,;25.71,2.49,;27.07,1.76,;28.37,2.57,;28.32,4.11,;29.63,4.93,;26.96,4.84,;25.65,4.02,;21.73,1.71,;21.71,.17,;20.4,2.49,;19.12,1.64,;19.11,.11,;18.09,-1.16,;16.69,-.6,;16.68,.99,;17.72,2.22,;16.37,1.74,;16.38,.26,;15.18,-1.02,;17.71,-.23,;15.04,1.04,;14.88,2.57,;13.36,2.9,;12.59,1.55,;11.06,1.39,;13.63,.4,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-16-5-3-15(23)4-6-16)19(29)25-17-13-7-12-8-14(17)11-22(9-12,10-13)18-26-20(24)28-27-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,25,29)(H3,24,26,27,28)/t12-,13-,14?,17+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192785
(CHEMBL385176 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)| Show InChI InChI=1S/C22H28N4O3/c1-21(2,29-18-4-3-13(11-23)12-25-18)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-17(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192792
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192790
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxy...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)| Show InChI InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192789
(2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-17-5-3-16(23)4-6-17)20(29)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18-25-27-28-26-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,29)(H,25,26,27,28)/t13-,14-,15?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192786
(CHEMBL216976 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:22.34,19.20,wD:24.25,26.29,TLB:18:19:31.22.23:25,THB:21:22:25:32.20.19,21:20:31.22.23:25,(23.97,-31.61,;22.64,-32.39,;21.31,-31.61,;23.97,-33.17,;25.31,-32.42,;26.63,-33.21,;27.97,-32.46,;27.99,-30.91,;26.66,-30.13,;25.32,-30.89,;29.32,-30.15,;30.64,-30.94,;31.97,-30.18,;31.99,-28.65,;30.67,-27.87,;29.32,-28.63,;21.3,-33.14,;21.28,-34.68,;19.97,-32.36,;18.69,-33.21,;18.68,-34.74,;17.67,-36.01,;16.26,-35.45,;16.26,-33.86,;17.29,-32.63,;15.95,-33.11,;15.96,-34.59,;14.62,-33.82,;13.28,-34.58,;11.94,-33.8,;13.27,-36.12,;14.76,-35.87,;17.28,-35.08,)| Show InChI InChI=1S/C25H36N4O4/c1-24(2,33-21-4-3-19(15-27-21)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192801
(CHEMBL220414 | {(1R,4S,5R,7S)-4-[2-(4-chloro-pheno...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)| Show InChI InChI=1S/C22H28ClNO4/c1-21(2,28-17-5-3-16(23)4-6-17)20(27)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(25)26/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,27)(H,25,26)/t13-,14-,15?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192799
(CHEMBL375979 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(nc1)N1CCOCC1 |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(17.63,-42.22,;16.3,-43,;14.97,-42.23,;14.96,-43.76,;14.94,-45.3,;13.63,-42.97,;12.35,-43.82,;12.33,-45.35,;11.32,-46.63,;9.91,-46.07,;9.91,-44.48,;10.95,-43.24,;9.6,-43.72,;9.61,-45.21,;8.27,-44.43,;6.93,-45.2,;5.59,-44.42,;6.92,-46.73,;8.41,-46.49,;10.94,-45.7,;17.62,-43.79,;17.59,-45.33,;18.91,-46.12,;20.26,-45.36,;20.27,-43.81,;18.95,-43.03,;21.58,-46.14,;21.56,-47.67,;22.88,-48.45,;24.22,-47.7,;24.24,-46.16,;22.91,-45.37,)| Show InChI InChI=1S/C25H36N4O3/c1-24(2,19-3-4-21(27-15-19)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192786
(CHEMBL216976 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:22.34,19.20,wD:24.25,26.29,TLB:18:19:31.22.23:25,THB:21:22:25:32.20.19,21:20:31.22.23:25,(23.97,-31.61,;22.64,-32.39,;21.31,-31.61,;23.97,-33.17,;25.31,-32.42,;26.63,-33.21,;27.97,-32.46,;27.99,-30.91,;26.66,-30.13,;25.32,-30.89,;29.32,-30.15,;30.64,-30.94,;31.97,-30.18,;31.99,-28.65,;30.67,-27.87,;29.32,-28.63,;21.3,-33.14,;21.28,-34.68,;19.97,-32.36,;18.69,-33.21,;18.68,-34.74,;17.67,-36.01,;16.26,-35.45,;16.26,-33.86,;17.29,-32.63,;15.95,-33.11,;15.96,-34.59,;14.62,-33.82,;13.28,-34.58,;11.94,-33.8,;13.27,-36.12,;14.76,-35.87,;17.28,-35.08,)| Show InChI InChI=1S/C25H36N4O4/c1-24(2,33-21-4-3-19(15-27-21)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | 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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192787
(CHEMBL219136 | N-[(1R,2S,5S,7S)-5-(5-amino-4H-[1,2...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nnc(N)[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(24.4,3.24,;23.08,2.46,;21.75,3.24,;24.41,1.68,;25.71,2.49,;27.07,1.76,;28.37,2.57,;28.32,4.11,;29.63,4.93,;26.96,4.84,;25.65,4.02,;21.73,1.71,;21.71,.17,;20.4,2.49,;19.12,1.64,;19.11,.11,;18.09,-1.16,;16.69,-.6,;16.68,.99,;17.72,2.22,;16.37,1.74,;16.38,.26,;15.18,-1.02,;17.71,-.23,;15.04,1.04,;14.88,2.57,;13.36,2.9,;12.59,1.55,;11.06,1.39,;13.63,.4,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-16-5-3-15(23)4-6-16)19(29)25-17-13-7-12-8-14(17)11-22(9-12,10-13)18-26-20(24)28-27-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,25,29)(H3,24,26,27,28)/t12-,13-,14?,17+,22+/m0/s1 | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192799
(CHEMBL375979 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(nc1)N1CCOCC1 |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(17.63,-42.22,;16.3,-43,;14.97,-42.23,;14.96,-43.76,;14.94,-45.3,;13.63,-42.97,;12.35,-43.82,;12.33,-45.35,;11.32,-46.63,;9.91,-46.07,;9.91,-44.48,;10.95,-43.24,;9.6,-43.72,;9.61,-45.21,;8.27,-44.43,;6.93,-45.2,;5.59,-44.42,;6.92,-46.73,;8.41,-46.49,;10.94,-45.7,;17.62,-43.79,;17.59,-45.33,;18.91,-46.12,;20.26,-45.36,;20.27,-43.81,;18.95,-43.03,;21.58,-46.14,;21.56,-47.67,;22.88,-48.45,;24.22,-47.7,;24.24,-46.16,;22.91,-45.37,)| Show InChI InChI=1S/C25H36N4O3/c1-24(2,19-3-4-21(27-15-19)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | 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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192798
(CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | 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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192800
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)| Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192793
(3-{(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2 |wU:17.29,14.14,wD:19.19,21.23,TLB:13:14:27.17.18:20,THB:16:17:20:28.15.14,16:15:27.17.18:20,(4.12,-25.84,;2.8,-26.62,;1.47,-25.84,;4.12,-27.4,;5.46,-26.65,;6.79,-27.44,;8.13,-26.69,;8.15,-25.15,;9.49,-24.39,;6.81,-24.36,;5.47,-25.12,;1.46,-27.37,;1.44,-28.91,;.13,-26.59,;-1.15,-27.44,;-1.16,-28.97,;-2.18,-30.25,;-3.58,-29.68,;-3.59,-28.1,;-2.55,-26.86,;-3.9,-27.34,;-3.89,-28.82,;-5.23,-28.05,;-6.56,-28.81,;-7.89,-28.04,;-7.89,-26.5,;-9.23,-28.81,;-5.08,-30.1,;-2.56,-29.31,)| Show InChI InChI=1S/C23H30ClNO4/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)25-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(26)27/h3-6,14-16,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t14-,15-,16?,20+,23-/m0/s1 | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192801
(CHEMBL220414 | {(1R,4S,5R,7S)-4-[2-(4-chloro-pheno...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)| Show InChI InChI=1S/C22H28ClNO4/c1-21(2,28-17-5-3-16(23)4-6-17)20(27)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(25)26/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,27)(H,25,26)/t13-,14-,15?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192789
(2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-17-5-3-16(23)4-6-17)20(29)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18-25-27-28-26-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,29)(H,25,26,27,28)/t13-,14-,15?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192793
(3-{(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2 |wU:17.29,14.14,wD:19.19,21.23,TLB:13:14:27.17.18:20,THB:16:17:20:28.15.14,16:15:27.17.18:20,(4.12,-25.84,;2.8,-26.62,;1.47,-25.84,;4.12,-27.4,;5.46,-26.65,;6.79,-27.44,;8.13,-26.69,;8.15,-25.15,;9.49,-24.39,;6.81,-24.36,;5.47,-25.12,;1.46,-27.37,;1.44,-28.91,;.13,-26.59,;-1.15,-27.44,;-1.16,-28.97,;-2.18,-30.25,;-3.58,-29.68,;-3.59,-28.1,;-2.55,-26.86,;-3.9,-27.34,;-3.89,-28.82,;-5.23,-28.05,;-6.56,-28.81,;-7.89,-28.04,;-7.89,-26.5,;-9.23,-28.81,;-5.08,-30.1,;-2.56,-29.31,)| Show InChI InChI=1S/C23H30ClNO4/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)25-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(26)27/h3-6,14-16,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t14-,15-,16?,20+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192801
(CHEMBL220414 | {(1R,4S,5R,7S)-4-[2-(4-chloro-pheno...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)| Show InChI InChI=1S/C22H28ClNO4/c1-21(2,28-17-5-3-16(23)4-6-17)20(27)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(25)26/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,27)(H,25,26)/t13-,14-,15?,19+,22+/m0/s1 | 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 | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192788
(2-(4-chloro-phenoxy)-2-methyl-N-[(1R,2S,5S,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(=O)o[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.58,-12.73,;24.26,-13.51,;22.93,-12.73,;25.58,-14.29,;26.93,-13.53,;28.25,-14.33,;29.59,-13.57,;29.61,-12.03,;30.95,-11.28,;28.27,-11.25,;26.94,-12.01,;22.92,-14.26,;22.9,-15.8,;21.59,-13.48,;20.31,-14.33,;20.3,-15.86,;19.28,-17.13,;17.88,-16.57,;17.87,-14.98,;18.91,-13.75,;17.56,-14.23,;17.57,-15.71,;16.38,-16.99,;18.9,-16.2,;16.23,-14.93,;14.82,-15.57,;13.78,-14.42,;12.25,-14.58,;14.56,-13.07,;16.07,-13.4,)| Show InChI InChI=1S/C22H26ClN3O4/c1-21(2,29-16-5-3-15(23)4-6-16)19(27)24-17-13-7-12-8-14(17)11-22(9-12,10-13)18-25-20(28)30-26-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,24,27)(H,25,26,28)/t12-,13-,14?,17+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192800
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)| Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1 | 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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192797
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)| Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192789
(2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-17-5-3-16(23)4-6-17)20(29)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18-25-27-28-26-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,29)(H,25,26,27,28)/t13-,14-,15?,19+,22+/m0/s1 | 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 | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192790
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxy...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)| Show InChI InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192796
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)| Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1 | 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 | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192798
(CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192799
(CHEMBL375979 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(nc1)N1CCOCC1 |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(17.63,-42.22,;16.3,-43,;14.97,-42.23,;14.96,-43.76,;14.94,-45.3,;13.63,-42.97,;12.35,-43.82,;12.33,-45.35,;11.32,-46.63,;9.91,-46.07,;9.91,-44.48,;10.95,-43.24,;9.6,-43.72,;9.61,-45.21,;8.27,-44.43,;6.93,-45.2,;5.59,-44.42,;6.92,-46.73,;8.41,-46.49,;10.94,-45.7,;17.62,-43.79,;17.59,-45.33,;18.91,-46.12,;20.26,-45.36,;20.27,-43.81,;18.95,-43.03,;21.58,-46.14,;21.56,-47.67,;22.88,-48.45,;24.22,-47.7,;24.24,-46.16,;22.91,-45.37,)| Show InChI InChI=1S/C25H36N4O3/c1-24(2,19-3-4-21(27-15-19)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192794
(CHEMBL216977 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CN1CCN(CC1)c1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@H]2C[C@](CC(N)=O)(C4)C3)nc1 |wU:21.32,18.18,wD:23.23,25.27,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(9.65,-35.24,;8.31,-36,;8.29,-37.53,;6.96,-38.29,;5.64,-37.5,;5.64,-35.97,;6.99,-35.22,;4.31,-38.26,;4.29,-39.8,;2.95,-40.56,;1.63,-39.76,;.29,-40.52,;-1.04,-39.73,;.29,-38.95,;-2.37,-38.96,;-2.38,-40.49,;-2.4,-42.03,;-3.7,-39.71,;-4.99,-40.56,;-5,-42.08,;-6.01,-43.36,;-7.42,-42.8,;-7.42,-41.21,;-6.38,-39.98,;-7.73,-40.46,;-7.72,-41.94,;-9.06,-41.16,;-10.4,-41.93,;-11.74,-41.15,;-10.4,-43.46,;-8.92,-43.22,;-6.39,-42.43,;1.64,-38.24,;2.98,-37.48,)| Show InChI InChI=1S/C26H39N5O3/c1-25(2,34-22-5-4-20(16-28-22)31-8-6-30(3)7-9-31)24(33)29-23-18-10-17-11-19(23)14-26(12-17,13-18)15-21(27)32/h4-5,16-19,23H,6-15H2,1-3H3,(H2,27,32)(H,29,33)/t17-,18-,19?,23+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192796
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)| Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192795
(CHEMBL219081 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:20:26.18.17,THB:16:15:20:26.18.17,16:17:20:27.15.14,(21.35,-50.44,;20.01,-51.2,;18.69,-50.43,;17.34,-51.18,;16.02,-50.39,;16.05,-48.85,;17.38,-48.1,;18.7,-48.88,;14.73,-48.06,;16.05,-47.28,;13.4,-47.29,;13.39,-48.82,;13.37,-50.36,;12.06,-48.04,;10.78,-48.89,;10.77,-50.41,;9.75,-51.69,;8.35,-51.13,;8.34,-49.54,;9.38,-48.31,;8.04,-48.79,;8.04,-50.27,;6.71,-49.49,;5.37,-50.26,;4.03,-49.48,;5.36,-51.8,;6.85,-51.55,;9.37,-50.76,)| Show InChI InChI=1S/C22H32N4O2/c1-21(2,16-4-5-18(24-3)25-12-16)20(28)26-19-14-6-13-7-15(19)10-22(8-13,9-14)11-17(23)27/h4-5,12-15,19H,6-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)/t13-,14-,15?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 246 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192796
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)| Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1 | 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 | 306 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192795
(CHEMBL219081 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:20:26.18.17,THB:16:15:20:26.18.17,16:17:20:27.15.14,(21.35,-50.44,;20.01,-51.2,;18.69,-50.43,;17.34,-51.18,;16.02,-50.39,;16.05,-48.85,;17.38,-48.1,;18.7,-48.88,;14.73,-48.06,;16.05,-47.28,;13.4,-47.29,;13.39,-48.82,;13.37,-50.36,;12.06,-48.04,;10.78,-48.89,;10.77,-50.41,;9.75,-51.69,;8.35,-51.13,;8.34,-49.54,;9.38,-48.31,;8.04,-48.79,;8.04,-50.27,;6.71,-49.49,;5.37,-50.26,;4.03,-49.48,;5.36,-51.8,;6.85,-51.55,;9.37,-50.76,)| Show InChI InChI=1S/C22H32N4O2/c1-21(2,16-4-5-18(24-3)25-12-16)20(28)26-19-14-6-13-7-15(19)10-22(8-13,9-14)11-17(23)27/h4-5,12-15,19H,6-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)/t13-,14-,15?,19+,22+/m0/s1 | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192788
(2-(4-chloro-phenoxy)-2-methyl-N-[(1R,2S,5S,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(=O)o[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.58,-12.73,;24.26,-13.51,;22.93,-12.73,;25.58,-14.29,;26.93,-13.53,;28.25,-14.33,;29.59,-13.57,;29.61,-12.03,;30.95,-11.28,;28.27,-11.25,;26.94,-12.01,;22.92,-14.26,;22.9,-15.8,;21.59,-13.48,;20.31,-14.33,;20.3,-15.86,;19.28,-17.13,;17.88,-16.57,;17.87,-14.98,;18.91,-13.75,;17.56,-14.23,;17.57,-15.71,;16.38,-16.99,;18.9,-16.2,;16.23,-14.93,;14.82,-15.57,;13.78,-14.42,;12.25,-14.58,;14.56,-13.07,;16.07,-13.4,)| Show InChI InChI=1S/C22H26ClN3O4/c1-21(2,29-16-5-3-15(23)4-6-16)19(27)24-17-13-7-12-8-14(17)11-22(9-12,10-13)18-25-20(28)30-26-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,24,27)(H,25,26,28)/t12-,13-,14?,17+,22+/m0/s1 | 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 | 358 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192785
(CHEMBL385176 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)| Show InChI InChI=1S/C22H28N4O3/c1-21(2,29-18-4-3-13(11-23)12-25-18)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-17(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 373 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192786
(CHEMBL216976 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:22.34,19.20,wD:24.25,26.29,TLB:18:19:31.22.23:25,THB:21:22:25:32.20.19,21:20:31.22.23:25,(23.97,-31.61,;22.64,-32.39,;21.31,-31.61,;23.97,-33.17,;25.31,-32.42,;26.63,-33.21,;27.97,-32.46,;27.99,-30.91,;26.66,-30.13,;25.32,-30.89,;29.32,-30.15,;30.64,-30.94,;31.97,-30.18,;31.99,-28.65,;30.67,-27.87,;29.32,-28.63,;21.3,-33.14,;21.28,-34.68,;19.97,-32.36,;18.69,-33.21,;18.68,-34.74,;17.67,-36.01,;16.26,-35.45,;16.26,-33.86,;17.29,-32.63,;15.95,-33.11,;15.96,-34.59,;14.62,-33.82,;13.28,-34.58,;11.94,-33.8,;13.27,-36.12,;14.76,-35.87,;17.28,-35.08,)| Show InChI InChI=1S/C25H36N4O4/c1-24(2,33-21-4-3-19(15-27-21)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 444 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192793
(3-{(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2 |wU:17.29,14.14,wD:19.19,21.23,TLB:13:14:27.17.18:20,THB:16:17:20:28.15.14,16:15:27.17.18:20,(4.12,-25.84,;2.8,-26.62,;1.47,-25.84,;4.12,-27.4,;5.46,-26.65,;6.79,-27.44,;8.13,-26.69,;8.15,-25.15,;9.49,-24.39,;6.81,-24.36,;5.47,-25.12,;1.46,-27.37,;1.44,-28.91,;.13,-26.59,;-1.15,-27.44,;-1.16,-28.97,;-2.18,-30.25,;-3.58,-29.68,;-3.59,-28.1,;-2.55,-26.86,;-3.9,-27.34,;-3.89,-28.82,;-5.23,-28.05,;-6.56,-28.81,;-7.89,-28.04,;-7.89,-26.5,;-9.23,-28.81,;-5.08,-30.1,;-2.56,-29.31,)| Show InChI InChI=1S/C23H30ClNO4/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)25-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(26)27/h3-6,14-16,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t14-,15-,16?,20+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 455 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192787
(CHEMBL219136 | N-[(1R,2S,5S,7S)-5-(5-amino-4H-[1,2...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nnc(N)[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(24.4,3.24,;23.08,2.46,;21.75,3.24,;24.41,1.68,;25.71,2.49,;27.07,1.76,;28.37,2.57,;28.32,4.11,;29.63,4.93,;26.96,4.84,;25.65,4.02,;21.73,1.71,;21.71,.17,;20.4,2.49,;19.12,1.64,;19.11,.11,;18.09,-1.16,;16.69,-.6,;16.68,.99,;17.72,2.22,;16.37,1.74,;16.38,.26,;15.18,-1.02,;17.71,-.23,;15.04,1.04,;14.88,2.57,;13.36,2.9,;12.59,1.55,;11.06,1.39,;13.63,.4,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-16-5-3-15(23)4-6-16)19(29)25-17-13-7-12-8-14(17)11-22(9-12,10-13)18-26-20(24)28-27-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,25,29)(H3,24,26,27,28)/t12-,13-,14?,17+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 476 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192794
(CHEMBL216977 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CN1CCN(CC1)c1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@H]2C[C@](CC(N)=O)(C4)C3)nc1 |wU:21.32,18.18,wD:23.23,25.27,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(9.65,-35.24,;8.31,-36,;8.29,-37.53,;6.96,-38.29,;5.64,-37.5,;5.64,-35.97,;6.99,-35.22,;4.31,-38.26,;4.29,-39.8,;2.95,-40.56,;1.63,-39.76,;.29,-40.52,;-1.04,-39.73,;.29,-38.95,;-2.37,-38.96,;-2.38,-40.49,;-2.4,-42.03,;-3.7,-39.71,;-4.99,-40.56,;-5,-42.08,;-6.01,-43.36,;-7.42,-42.8,;-7.42,-41.21,;-6.38,-39.98,;-7.73,-40.46,;-7.72,-41.94,;-9.06,-41.16,;-10.4,-41.93,;-11.74,-41.15,;-10.4,-43.46,;-8.92,-43.22,;-6.39,-42.43,;1.64,-38.24,;2.98,-37.48,)| Show InChI InChI=1S/C26H39N5O3/c1-25(2,34-22-5-4-20(16-28-22)31-8-6-30(3)7-9-31)24(33)29-23-18-10-17-11-19(23)14-26(12-17,13-18)15-21(27)32/h4-5,16-19,23H,6-15H2,1-3H3,(H2,27,32)(H,29,33)/t17-,18-,19?,23+,26+/m0/s1 | 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 | 519 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192788
(2-(4-chloro-phenoxy)-2-methyl-N-[(1R,2S,5S,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(=O)o[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.58,-12.73,;24.26,-13.51,;22.93,-12.73,;25.58,-14.29,;26.93,-13.53,;28.25,-14.33,;29.59,-13.57,;29.61,-12.03,;30.95,-11.28,;28.27,-11.25,;26.94,-12.01,;22.92,-14.26,;22.9,-15.8,;21.59,-13.48,;20.31,-14.33,;20.3,-15.86,;19.28,-17.13,;17.88,-16.57,;17.87,-14.98,;18.91,-13.75,;17.56,-14.23,;17.57,-15.71,;16.38,-16.99,;18.9,-16.2,;16.23,-14.93,;14.82,-15.57,;13.78,-14.42,;12.25,-14.58,;14.56,-13.07,;16.07,-13.4,)| Show InChI InChI=1S/C22H26ClN3O4/c1-21(2,29-16-5-3-15(23)4-6-16)19(27)24-17-13-7-12-8-14(17)11-22(9-12,10-13)18-25-20(28)30-26-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,24,27)(H,25,26,28)/t12-,13-,14?,17+,22+/m0/s1 | 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 | 532 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192789
(2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-17-5-3-16(23)4-6-17)20(29)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18-25-27-28-26-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,29)(H,25,26,27,28)/t13-,14-,15?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192794
(CHEMBL216977 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CN1CCN(CC1)c1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@H]2C[C@](CC(N)=O)(C4)C3)nc1 |wU:21.32,18.18,wD:23.23,25.27,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(9.65,-35.24,;8.31,-36,;8.29,-37.53,;6.96,-38.29,;5.64,-37.5,;5.64,-35.97,;6.99,-35.22,;4.31,-38.26,;4.29,-39.8,;2.95,-40.56,;1.63,-39.76,;.29,-40.52,;-1.04,-39.73,;.29,-38.95,;-2.37,-38.96,;-2.38,-40.49,;-2.4,-42.03,;-3.7,-39.71,;-4.99,-40.56,;-5,-42.08,;-6.01,-43.36,;-7.42,-42.8,;-7.42,-41.21,;-6.38,-39.98,;-7.73,-40.46,;-7.72,-41.94,;-9.06,-41.16,;-10.4,-41.93,;-11.74,-41.15,;-10.4,-43.46,;-8.92,-43.22,;-6.39,-42.43,;1.64,-38.24,;2.98,-37.48,)| Show InChI InChI=1S/C26H39N5O3/c1-25(2,34-22-5-4-20(16-28-22)31-8-6-30(3)7-9-31)24(33)29-23-18-10-17-11-19(23)14-26(12-17,13-18)15-21(27)32/h4-5,16-19,23H,6-15H2,1-3H3,(H2,27,32)(H,29,33)/t17-,18-,19?,23+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192797
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)| Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192797
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)| Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192800
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)| Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192798
(CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192800
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)| Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192801
(CHEMBL220414 | {(1R,4S,5R,7S)-4-[2-(4-chloro-pheno...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)| Show InChI InChI=1S/C22H28ClNO4/c1-21(2,28-17-5-3-16(23)4-6-17)20(27)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(25)26/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,27)(H,25,26)/t13-,14-,15?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192793
(3-{(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2 |wU:17.29,14.14,wD:19.19,21.23,TLB:13:14:27.17.18:20,THB:16:17:20:28.15.14,16:15:27.17.18:20,(4.12,-25.84,;2.8,-26.62,;1.47,-25.84,;4.12,-27.4,;5.46,-26.65,;6.79,-27.44,;8.13,-26.69,;8.15,-25.15,;9.49,-24.39,;6.81,-24.36,;5.47,-25.12,;1.46,-27.37,;1.44,-28.91,;.13,-26.59,;-1.15,-27.44,;-1.16,-28.97,;-2.18,-30.25,;-3.58,-29.68,;-3.59,-28.1,;-2.55,-26.86,;-3.9,-27.34,;-3.89,-28.82,;-5.23,-28.05,;-6.56,-28.81,;-7.89,-28.04,;-7.89,-26.5,;-9.23,-28.81,;-5.08,-30.1,;-2.56,-29.31,)| Show InChI InChI=1S/C23H30ClNO4/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)25-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(26)27/h3-6,14-16,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t14-,15-,16?,20+,23-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192788
(2-(4-chloro-phenoxy)-2-methyl-N-[(1R,2S,5S,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(=O)o[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.58,-12.73,;24.26,-13.51,;22.93,-12.73,;25.58,-14.29,;26.93,-13.53,;28.25,-14.33,;29.59,-13.57,;29.61,-12.03,;30.95,-11.28,;28.27,-11.25,;26.94,-12.01,;22.92,-14.26,;22.9,-15.8,;21.59,-13.48,;20.31,-14.33,;20.3,-15.86,;19.28,-17.13,;17.88,-16.57,;17.87,-14.98,;18.91,-13.75,;17.56,-14.23,;17.57,-15.71,;16.38,-16.99,;18.9,-16.2,;16.23,-14.93,;14.82,-15.57,;13.78,-14.42,;12.25,-14.58,;14.56,-13.07,;16.07,-13.4,)| Show InChI InChI=1S/C22H26ClN3O4/c1-21(2,29-16-5-3-15(23)4-6-16)19(27)24-17-13-7-12-8-14(17)11-22(9-12,10-13)18-25-20(28)30-26-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,24,27)(H,25,26,28)/t12-,13-,14?,17+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192796
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)| Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192801
(CHEMBL220414 | {(1R,4S,5R,7S)-4-[2-(4-chloro-pheno...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)| Show InChI InChI=1S/C22H28ClNO4/c1-21(2,28-17-5-3-16(23)4-6-17)20(27)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(25)26/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,27)(H,25,26)/t13-,14-,15?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192787
(CHEMBL219136 | N-[(1R,2S,5S,7S)-5-(5-amino-4H-[1,2...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nnc(N)[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(24.4,3.24,;23.08,2.46,;21.75,3.24,;24.41,1.68,;25.71,2.49,;27.07,1.76,;28.37,2.57,;28.32,4.11,;29.63,4.93,;26.96,4.84,;25.65,4.02,;21.73,1.71,;21.71,.17,;20.4,2.49,;19.12,1.64,;19.11,.11,;18.09,-1.16,;16.69,-.6,;16.68,.99,;17.72,2.22,;16.37,1.74,;16.38,.26,;15.18,-1.02,;17.71,-.23,;15.04,1.04,;14.88,2.57,;13.36,2.9,;12.59,1.55,;11.06,1.39,;13.63,.4,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-16-5-3-15(23)4-6-16)19(29)25-17-13-7-12-8-14(17)11-22(9-12,10-13)18-26-20(24)28-27-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,25,29)(H3,24,26,27,28)/t12-,13-,14?,17+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192792
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192788
(2-(4-chloro-phenoxy)-2-methyl-N-[(1R,2S,5S,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(=O)o[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.58,-12.73,;24.26,-13.51,;22.93,-12.73,;25.58,-14.29,;26.93,-13.53,;28.25,-14.33,;29.59,-13.57,;29.61,-12.03,;30.95,-11.28,;28.27,-11.25,;26.94,-12.01,;22.92,-14.26,;22.9,-15.8,;21.59,-13.48,;20.31,-14.33,;20.3,-15.86,;19.28,-17.13,;17.88,-16.57,;17.87,-14.98,;18.91,-13.75,;17.56,-14.23,;17.57,-15.71,;16.38,-16.99,;18.9,-16.2,;16.23,-14.93,;14.82,-15.57,;13.78,-14.42,;12.25,-14.58,;14.56,-13.07,;16.07,-13.4,)| Show InChI InChI=1S/C22H26ClN3O4/c1-21(2,29-16-5-3-15(23)4-6-16)19(27)24-17-13-7-12-8-14(17)11-22(9-12,10-13)18-25-20(28)30-26-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,24,27)(H,25,26,28)/t12-,13-,14?,17+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192796
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)| Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1 | KEGG
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192787
(CHEMBL219136 | N-[(1R,2S,5S,7S)-5-(5-amino-4H-[1,2...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nnc(N)[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(24.4,3.24,;23.08,2.46,;21.75,3.24,;24.41,1.68,;25.71,2.49,;27.07,1.76,;28.37,2.57,;28.32,4.11,;29.63,4.93,;26.96,4.84,;25.65,4.02,;21.73,1.71,;21.71,.17,;20.4,2.49,;19.12,1.64,;19.11,.11,;18.09,-1.16,;16.69,-.6,;16.68,.99,;17.72,2.22,;16.37,1.74,;16.38,.26,;15.18,-1.02,;17.71,-.23,;15.04,1.04,;14.88,2.57,;13.36,2.9,;12.59,1.55,;11.06,1.39,;13.63,.4,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-16-5-3-15(23)4-6-16)19(29)25-17-13-7-12-8-14(17)11-22(9-12,10-13)18-26-20(24)28-27-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,25,29)(H3,24,26,27,28)/t12-,13-,14?,17+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
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| 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192785
(CHEMBL385176 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)| Show InChI InChI=1S/C22H28N4O3/c1-21(2,29-18-4-3-13(11-23)12-25-18)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-17(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | KEGG
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| CHEMBL
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192790
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxy...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)| Show InChI InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/m0/s1 | KEGG
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PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192793
(3-{(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2 |wU:17.29,14.14,wD:19.19,21.23,TLB:13:14:27.17.18:20,THB:16:17:20:28.15.14,16:15:27.17.18:20,(4.12,-25.84,;2.8,-26.62,;1.47,-25.84,;4.12,-27.4,;5.46,-26.65,;6.79,-27.44,;8.13,-26.69,;8.15,-25.15,;9.49,-24.39,;6.81,-24.36,;5.47,-25.12,;1.46,-27.37,;1.44,-28.91,;.13,-26.59,;-1.15,-27.44,;-1.16,-28.97,;-2.18,-30.25,;-3.58,-29.68,;-3.59,-28.1,;-2.55,-26.86,;-3.9,-27.34,;-3.89,-28.82,;-5.23,-28.05,;-6.56,-28.81,;-7.89,-28.04,;-7.89,-26.5,;-9.23,-28.81,;-5.08,-30.1,;-2.56,-29.31,)| Show InChI InChI=1S/C23H30ClNO4/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)25-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(26)27/h3-6,14-16,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t14-,15-,16?,20+,23-/m0/s1 | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192794
(CHEMBL216977 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CN1CCN(CC1)c1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@H]2C[C@](CC(N)=O)(C4)C3)nc1 |wU:21.32,18.18,wD:23.23,25.27,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(9.65,-35.24,;8.31,-36,;8.29,-37.53,;6.96,-38.29,;5.64,-37.5,;5.64,-35.97,;6.99,-35.22,;4.31,-38.26,;4.29,-39.8,;2.95,-40.56,;1.63,-39.76,;.29,-40.52,;-1.04,-39.73,;.29,-38.95,;-2.37,-38.96,;-2.38,-40.49,;-2.4,-42.03,;-3.7,-39.71,;-4.99,-40.56,;-5,-42.08,;-6.01,-43.36,;-7.42,-42.8,;-7.42,-41.21,;-6.38,-39.98,;-7.73,-40.46,;-7.72,-41.94,;-9.06,-41.16,;-10.4,-41.93,;-11.74,-41.15,;-10.4,-43.46,;-8.92,-43.22,;-6.39,-42.43,;1.64,-38.24,;2.98,-37.48,)| Show InChI InChI=1S/C26H39N5O3/c1-25(2,34-22-5-4-20(16-28-22)31-8-6-30(3)7-9-31)24(33)29-23-18-10-17-11-19(23)14-26(12-17,13-18)15-21(27)32/h4-5,16-19,23H,6-15H2,1-3H3,(H2,27,32)(H,29,33)/t17-,18-,19?,23+,26+/m0/s1 | KEGG
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192792
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1 | KEGG
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PC sid
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192799
(CHEMBL375979 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(nc1)N1CCOCC1 |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(17.63,-42.22,;16.3,-43,;14.97,-42.23,;14.96,-43.76,;14.94,-45.3,;13.63,-42.97,;12.35,-43.82,;12.33,-45.35,;11.32,-46.63,;9.91,-46.07,;9.91,-44.48,;10.95,-43.24,;9.6,-43.72,;9.61,-45.21,;8.27,-44.43,;6.93,-45.2,;5.59,-44.42,;6.92,-46.73,;8.41,-46.49,;10.94,-45.7,;17.62,-43.79,;17.59,-45.33,;18.91,-46.12,;20.26,-45.36,;20.27,-43.81,;18.95,-43.03,;21.58,-46.14,;21.56,-47.67,;22.88,-48.45,;24.22,-47.7,;24.24,-46.16,;22.91,-45.37,)| Show InChI InChI=1S/C25H36N4O3/c1-24(2,19-3-4-21(27-15-19)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | KEGG
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| CHEMBL
PC cid
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192790
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxy...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)| Show InChI InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/m0/s1 | KEGG
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192795
(CHEMBL219081 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:20:26.18.17,THB:16:15:20:26.18.17,16:17:20:27.15.14,(21.35,-50.44,;20.01,-51.2,;18.69,-50.43,;17.34,-51.18,;16.02,-50.39,;16.05,-48.85,;17.38,-48.1,;18.7,-48.88,;14.73,-48.06,;16.05,-47.28,;13.4,-47.29,;13.39,-48.82,;13.37,-50.36,;12.06,-48.04,;10.78,-48.89,;10.77,-50.41,;9.75,-51.69,;8.35,-51.13,;8.34,-49.54,;9.38,-48.31,;8.04,-48.79,;8.04,-50.27,;6.71,-49.49,;5.37,-50.26,;4.03,-49.48,;5.36,-51.8,;6.85,-51.55,;9.37,-50.76,)| Show InChI InChI=1S/C22H32N4O2/c1-21(2,16-4-5-18(24-3)25-12-16)20(28)26-19-14-6-13-7-15(19)10-22(8-13,9-14)11-17(23)27/h4-5,12-15,19H,6-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)/t13-,14-,15?,19+,22+/m0/s1 | KEGG
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| 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192794
(CHEMBL216977 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CN1CCN(CC1)c1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@H]2C[C@](CC(N)=O)(C4)C3)nc1 |wU:21.32,18.18,wD:23.23,25.27,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(9.65,-35.24,;8.31,-36,;8.29,-37.53,;6.96,-38.29,;5.64,-37.5,;5.64,-35.97,;6.99,-35.22,;4.31,-38.26,;4.29,-39.8,;2.95,-40.56,;1.63,-39.76,;.29,-40.52,;-1.04,-39.73,;.29,-38.95,;-2.37,-38.96,;-2.38,-40.49,;-2.4,-42.03,;-3.7,-39.71,;-4.99,-40.56,;-5,-42.08,;-6.01,-43.36,;-7.42,-42.8,;-7.42,-41.21,;-6.38,-39.98,;-7.73,-40.46,;-7.72,-41.94,;-9.06,-41.16,;-10.4,-41.93,;-11.74,-41.15,;-10.4,-43.46,;-8.92,-43.22,;-6.39,-42.43,;1.64,-38.24,;2.98,-37.48,)| Show InChI InChI=1S/C26H39N5O3/c1-25(2,34-22-5-4-20(16-28-22)31-8-6-30(3)7-9-31)24(33)29-23-18-10-17-11-19(23)14-26(12-17,13-18)15-21(27)32/h4-5,16-19,23H,6-15H2,1-3H3,(H2,27,32)(H,29,33)/t17-,18-,19?,23+,26+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192795
(CHEMBL219081 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:20:26.18.17,THB:16:15:20:26.18.17,16:17:20:27.15.14,(21.35,-50.44,;20.01,-51.2,;18.69,-50.43,;17.34,-51.18,;16.02,-50.39,;16.05,-48.85,;17.38,-48.1,;18.7,-48.88,;14.73,-48.06,;16.05,-47.28,;13.4,-47.29,;13.39,-48.82,;13.37,-50.36,;12.06,-48.04,;10.78,-48.89,;10.77,-50.41,;9.75,-51.69,;8.35,-51.13,;8.34,-49.54,;9.38,-48.31,;8.04,-48.79,;8.04,-50.27,;6.71,-49.49,;5.37,-50.26,;4.03,-49.48,;5.36,-51.8,;6.85,-51.55,;9.37,-50.76,)| Show InChI InChI=1S/C22H32N4O2/c1-21(2,16-4-5-18(24-3)25-12-16)20(28)26-19-14-6-13-7-15(19)10-22(8-13,9-14)11-17(23)27/h4-5,12-15,19H,6-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)/t13-,14-,15?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192799
(CHEMBL375979 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(nc1)N1CCOCC1 |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(17.63,-42.22,;16.3,-43,;14.97,-42.23,;14.96,-43.76,;14.94,-45.3,;13.63,-42.97,;12.35,-43.82,;12.33,-45.35,;11.32,-46.63,;9.91,-46.07,;9.91,-44.48,;10.95,-43.24,;9.6,-43.72,;9.61,-45.21,;8.27,-44.43,;6.93,-45.2,;5.59,-44.42,;6.92,-46.73,;8.41,-46.49,;10.94,-45.7,;17.62,-43.79,;17.59,-45.33,;18.91,-46.12,;20.26,-45.36,;20.27,-43.81,;18.95,-43.03,;21.58,-46.14,;21.56,-47.67,;22.88,-48.45,;24.22,-47.7,;24.24,-46.16,;22.91,-45.37,)| Show InChI InChI=1S/C25H36N4O3/c1-24(2,19-3-4-21(27-15-19)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192789
(2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-17-5-3-16(23)4-6-17)20(29)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18-25-27-28-26-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,29)(H,25,26,27,28)/t13-,14-,15?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192785
(CHEMBL385176 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)| Show InChI InChI=1S/C22H28N4O3/c1-21(2,29-18-4-3-13(11-23)12-25-18)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-17(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192798
(CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50192786
(CHEMBL216976 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:22.34,19.20,wD:24.25,26.29,TLB:18:19:31.22.23:25,THB:21:22:25:32.20.19,21:20:31.22.23:25,(23.97,-31.61,;22.64,-32.39,;21.31,-31.61,;23.97,-33.17,;25.31,-32.42,;26.63,-33.21,;27.97,-32.46,;27.99,-30.91,;26.66,-30.13,;25.32,-30.89,;29.32,-30.15,;30.64,-30.94,;31.97,-30.18,;31.99,-28.65,;30.67,-27.87,;29.32,-28.63,;21.3,-33.14,;21.28,-34.68,;19.97,-32.36,;18.69,-33.21,;18.68,-34.74,;17.67,-36.01,;16.26,-35.45,;16.26,-33.86,;17.29,-32.63,;15.95,-33.11,;15.96,-34.59,;14.62,-33.82,;13.28,-34.58,;11.94,-33.8,;13.27,-36.12,;14.76,-35.87,;17.28,-35.08,)| Show InChI InChI=1S/C25H36N4O4/c1-24(2,33-21-4-3-19(15-27-21)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Mus musculus (mouse)) | BDBM50192786
(CHEMBL216976 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:22.34,19.20,wD:24.25,26.29,TLB:18:19:31.22.23:25,THB:21:22:25:32.20.19,21:20:31.22.23:25,(23.97,-31.61,;22.64,-32.39,;21.31,-31.61,;23.97,-33.17,;25.31,-32.42,;26.63,-33.21,;27.97,-32.46,;27.99,-30.91,;26.66,-30.13,;25.32,-30.89,;29.32,-30.15,;30.64,-30.94,;31.97,-30.18,;31.99,-28.65,;30.67,-27.87,;29.32,-28.63,;21.3,-33.14,;21.28,-34.68,;19.97,-32.36,;18.69,-33.21,;18.68,-34.74,;17.67,-36.01,;16.26,-35.45,;16.26,-33.86,;17.29,-32.63,;15.95,-33.11,;15.96,-34.59,;14.62,-33.82,;13.28,-34.58,;11.94,-33.8,;13.27,-36.12,;14.76,-35.87,;17.28,-35.08,)| Show InChI InChI=1S/C25H36N4O4/c1-24(2,33-21-4-3-19(15-27-21)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
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