Found 10 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102430
(US8536173, 5)Show SMILES NC(=O)C[C@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:10.11,wD:4.3,TLB:7:6:44:10.9.8,THB:5:6:10:44.4.9,(13.19,-3.33,;11.65,-3.33,;10.88,-4.67,;10.88,-2,;9.34,-2,;8.28,-1.28,;7.9,-1.95,;7.03,-1.95,;7.03,-.67,;8.57,-.67,;6.26,-2,;4.72,-2,;3.95,-.67,;4.72,.67,;2.41,-.67,;1.64,-2,;.1,-2,;-.67,-.67,;-2.21,-.67,;-2.98,.67,;-4.52,.67,;-5.29,-.67,;-4.52,-2,;-2.98,-2,;-6.83,-.67,;-7.6,-2,;-9.14,-2,;-9.91,-.67,;-9.14,.67,;-7.6,.67,;-11.45,-.67,;-11.45,.87,;-11.45,-2.21,;-12.99,-.67,;-14.08,-1.76,;-14.08,.42,;.1,.67,;-.67,2,;.1,3.33,;1.64,3.33,;2.41,2,;1.64,.67,;7.03,-3.33,;8.12,-2.8,;8.57,-3.33,)| Show InChI InChI=1S/C33H43N7O4S/c34-29(41)20-33-17-22-15-23(18-33)31(24(16-22)19-33)36-32(42)40-14-13-39(27-3-1-2-4-28(27)40)30-8-5-25(21-35-30)37-9-11-38(12-10-37)45(43,44)26-6-7-26/h1-5,8,21-24,26,31H,6-7,9-20H2,(H2,34,41)(H,36,42)/t22?,23?,24?,31-,33+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102428
(US8536173, 3)Show SMILES NC(=O)C[C@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:10.11,wD:4.3,TLB:7:6:44:10.9.8,THB:5:6:10:44.4.9,(14.53,-.67,;12.99,-.67,;12.22,.67,;12.22,-2,;10.68,-2,;9.68,-2.71,;9.26,-1.98,;9.53,-.98,;8.37,-.67,;9.91,-.67,;7.6,-2,;6.06,-2,;5.29,-.67,;6.06,.67,;3.75,-.67,;2.98,-2,;1.44,-2,;.67,-.67,;-.87,-.67,;-1.64,.67,;-3.18,.67,;-3.95,-.67,;-3.18,-2,;-1.64,-2,;-5.49,-.67,;-6.26,-2,;-7.8,-2,;-8.57,-.67,;-7.8,.67,;-6.26,.67,;-10.11,-.67,;-10.11,.87,;-10.11,-2.21,;-11.65,-.67,;-12.99,.1,;-12.99,-1.44,;1.44,.67,;.67,2,;1.44,3.33,;2.98,3.33,;3.75,2,;2.98,.67,;8.37,-3.33,;8.38,-2.23,;9.91,-3.33,)| Show InChI InChI=1S/C33H43N7O4S/c34-29(41)20-33-17-22-15-23(18-33)31(24(16-22)19-33)36-32(42)40-14-13-39(27-3-1-2-4-28(27)40)30-8-5-25(21-35-30)37-9-11-38(12-10-37)45(43,44)26-6-7-26/h1-5,8,21-24,26,31H,6-7,9-20H2,(H2,34,41)(H,36,42)/t22?,23?,24?,31-,33+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102429
(US8536173, 4)Show SMILES NC[C@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:8.9,wD:2.1,TLB:5:4:42:8.7.6,THB:3:4:8:42.2.7,(12.22,,;11.45,-1.33,;9.91,-1.33,;8.85,-.61,;8.46,-1.29,;7.6,-1.29,;7.6,,;9.14,,;6.83,-1.33,;5.29,-1.33,;4.52,,;5.29,1.33,;2.98,,;2.21,-1.33,;.67,-1.33,;-.1,,;-1.64,,;-2.41,1.33,;-3.95,1.33,;-4.72,,;-3.95,-1.33,;-2.41,-1.33,;-6.26,,;-7.03,-1.33,;-8.57,-1.33,;-9.34,,;-8.57,1.33,;-7.03,1.33,;-10.88,,;-10.88,1.54,;-10.88,-1.54,;-12.42,,;-13.76,.77,;-13.76,-.77,;.67,1.33,;-.1,2.67,;.67,4,;2.21,4,;2.98,2.67,;2.21,1.33,;7.6,-2.67,;8.69,-2.13,;9.14,-2.67,)| Show InChI InChI=1S/C32H43N7O3S/c33-21-32-17-22-15-23(18-32)30(24(16-22)19-32)35-31(40)39-14-13-38(27-3-1-2-4-28(27)39)29-8-5-25(20-34-29)36-9-11-37(12-10-36)43(41,42)26-6-7-26/h1-5,8,20,22-24,26,30H,6-7,9-19,21,33H2,(H,35,40)/t22?,23?,24?,30-,32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102434
(US8536173, 9)Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@@](C4)(C3)NS(C)(=O)=O)c2ccccc12 |r,wU:23.24,wD:30.37,TLB:31:30:23:25.27.26,THB:25:26:29:23.32.24,31:26:23:29.30.32,(-13.12,-.56,;-11.58,-.56,;-11.58,.98,;-11.58,-2.1,;-10.04,-.56,;-9.27,.77,;-7.73,.77,;-6.96,-.56,;-7.73,-1.9,;-9.27,-1.9,;-5.42,-.56,;-4.65,.77,;-3.11,.77,;-2.34,-.56,;-3.11,-1.9,;-4.65,-1.9,;-.8,-.56,;-.03,-1.9,;1.51,-1.9,;2.28,-.56,;3.82,-.56,;4.59,.77,;4.59,-1.9,;6.13,-1.9,;6.9,-.56,;6.9,-1.96,;7.72,-1.96,;7.91,-2.71,;6.9,-3.23,;8.44,-3.23,;9.21,-1.9,;8.06,-1.2,;8.44,-.56,;10.75,-1.9,;11.66,-.65,;12.43,.68,;12.99,-1.42,;10.32,.12,;1.51,.77,;2.28,2.1,;1.51,3.44,;-.03,3.44,;-.8,2.1,;-.03,.77,)| Show InChI InChI=1S/C33H47N7O3S/c1-32(2,3)38-13-11-37(12-14-38)26-9-10-29(34-22-26)39-15-16-40(28-8-6-5-7-27(28)39)31(41)35-30-24-17-23-18-25(30)21-33(19-23,20-24)36-44(4,42)43/h5-10,22-25,30,36H,11-21H2,1-4H3,(H,35,41)/t23?,24?,25?,30-,33+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102427
(US8536173, 2)Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@@](CNS(C)(=O)=O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,THB:25:26:29:23.38.24,37:26:23:29.30.38,(-12.42,-.67,;-10.88,-.67,;-10.88,.87,;-10.88,-2.21,;-9.34,-.67,;-8.57,-2,;-7.03,-2,;-6.26,-.67,;-7.03,.67,;-8.57,.67,;-4.72,-.67,;-3.95,.67,;-2.41,.67,;-1.64,-.67,;-2.41,-2,;-3.95,-2,;-.1,-.67,;.67,-2,;2.21,-2,;2.98,-.67,;4.52,-.67,;5.29,.67,;5.29,-2,;6.83,-2,;7.6,-.67,;7.6,-1.95,;8.46,-1.95,;8.69,-2.8,;7.6,-3.33,;9.14,-3.33,;9.91,-2,;11.45,-2,;12.22,-.67,;13.76,-.67,;15.3,-.67,;13.76,-2.21,;13.76,.87,;8.85,-1.28,;9.14,-.67,;2.21,.67,;2.98,2,;2.21,3.33,;.67,3.33,;-.1,2,;.67,.67,)| Show InChI InChI=1S/C34H49N7O3S/c1-33(2,3)39-13-11-38(12-14-39)27-9-10-30(35-22-27)40-15-16-41(29-8-6-5-7-28(29)40)32(42)37-31-25-17-24-18-26(31)21-34(19-24,20-25)23-36-45(4,43)44/h5-10,22,24-26,31,36H,11-21,23H2,1-4H3,(H,37,42)/t24?,25?,26?,31-,34+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102432
(US8536173, 7)Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@@](Cc2nn[nH]n2)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:27:26:38:23.29.28,37:30:23:27.25.26,THB:37:26:23:38.30.29,(-12.81,,;-11.27,,;-11.27,1.54,;-11.27,-1.54,;-9.73,,;-8.96,1.33,;-7.42,1.33,;-6.65,,;-7.42,-1.33,;-8.96,-1.33,;-5.11,,;-4.34,1.33,;-2.8,1.33,;-2.03,,;-2.8,-1.33,;-4.34,-1.33,;-.49,,;.28,-1.33,;1.82,-1.33,;2.59,,;4.13,,;4.9,1.33,;4.9,-1.33,;6.44,-1.33,;7.21,,;8.22,-.52,;8.03,-1.27,;7.21,-1.27,;7.21,-2.67,;8.75,-2.67,;9.52,-1.33,;11.06,-1.33,;11.83,,;13.37,,;13.85,1.46,;12.6,2.37,;11.36,1.46,;8.37,-2.03,;8.75,,;1.82,1.33,;2.59,2.67,;1.82,4,;.28,4,;-.49,2.67,;.28,1.33,)| Show InChI InChI=1S/C34H46N10O/c1-33(2,3)42-12-10-41(11-13-42)26-8-9-30(35-22-26)43-14-15-44(28-7-5-4-6-27(28)43)32(45)36-31-24-16-23-17-25(31)20-34(18-23,19-24)21-29-37-39-40-38-29/h4-9,22-25,31H,10-21H2,1-3H3,(H,36,45)(H,37,38,39,40)/t23?,24?,25?,31-,34+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102431
(US8536173, 6)Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@@](C4)(C3)C(O)C(F)(F)F)c2ccccc12 |r,wU:23.24,wD:30.37,TLB:31:30:23:25.27.26,THB:25:26:29:23.32.24,31:26:23:29.30.32,(-13.33,-.67,;-11.79,-.67,;-11.79,.87,;-11.79,-2.21,;-10.25,-.67,;-9.48,.67,;-7.94,.67,;-7.17,-.67,;-7.94,-2,;-9.48,-2,;-5.63,-.67,;-4.86,.67,;-3.32,.67,;-2.55,-.67,;-3.32,-2,;-4.86,-2,;-1.01,-.67,;-.24,-2,;1.3,-2,;2.07,-.67,;3.61,-.67,;4.38,.67,;4.38,-2,;5.92,-2,;6.69,-.67,;6.69,-2.06,;7.51,-2.06,;7.7,-2.82,;6.69,-3.33,;8.23,-3.33,;9,-2,;7.85,-1.3,;8.23,-.67,;10.54,-2,;11.63,-3.09,;11.31,-.67,;12.08,.67,;12.65,-1.44,;9.98,.1,;1.3,.67,;2.07,2,;1.3,3.33,;-.24,3.33,;-1.01,2,;-.24,.67,)| Show InChI InChI=1S/C34H45F3N6O2/c1-32(2,3)41-12-10-40(11-13-41)25-8-9-28(38-21-25)42-14-15-43(27-7-5-4-6-26(27)42)31(45)39-29-23-16-22-17-24(29)20-33(18-22,19-23)30(44)34(35,36)37/h4-9,21-24,29-30,44H,10-20H2,1-3H3,(H,39,45)/t22?,23?,24?,29-,30?,33+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102426
(US8536173, 1)Show SMILES OC(=O)N1CCN(c2ccc(cn2)N2CCN(CC2)C2CCOCC2)c2ccccc12 Show InChI InChI=1S/C23H29N5O3/c29-23(30)28-14-13-27(20-3-1-2-4-21(20)28)22-6-5-19(17-24-22)26-11-9-25(10-12-26)18-7-15-31-16-8-18/h1-6,17-18H,7-16H2,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM102433
(US8536173, 8)Show SMILES CONC(=O)[C@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:11.12,wD:5.4,TLB:6:5:11:8.44.7,8:7:45:11.10.9,THB:6:7:11:45.5.10,(13.96,-4.67,;13.19,-3.33,;11.65,-3.33,;10.88,-2,;11.65,-.67,;9.34,-2,;8.19,-1.3,;7.85,-2.06,;7.03,-2.06,;7.03,-.67,;8.57,-.67,;6.26,-2,;4.72,-2,;3.95,-.67,;4.72,.67,;2.41,-.67,;1.64,-2,;.1,-2,;-.67,-.67,;-2.21,-.67,;-2.98,.67,;-4.52,.67,;-5.29,-.67,;-4.52,-2,;-2.98,-2,;-6.83,-.67,;-7.6,.67,;-9.14,.67,;-9.91,-.67,;-9.14,-2,;-7.6,-2,;-11.45,-.67,;-11.45,-2.21,;-11.45,.87,;-12.99,-.67,;-14.32,-1.44,;-14.32,.1,;.1,.67,;-.67,2,;.1,3.33,;1.64,3.33,;2.41,2,;1.64,.67,;7.03,-3.33,;8.04,-2.82,;8.57,-3.33,)| Show InChI InChI=1S/C33H43N7O5S/c1-45-36-31(41)33-18-22-16-23(19-33)30(24(17-22)20-33)35-32(42)40-15-14-39(27-4-2-3-5-28(27)40)29-9-6-25(21-34-29)37-10-12-38(13-11-37)46(43,44)26-7-8-26/h2-6,9,21-24,26,30H,7-8,10-20H2,1H3,(H,35,42)(H,36,41)/t22?,23?,24?,30-,33+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
SANOFI
US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM8528
(US8536173, 10)Show SMILES Cc1noc(n1)[C@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:12.14,wD:6.6,TLB:7:6:12:9.45.8,9:8:46:12.11.10,THB:7:8:12:46.6.11,(14.25,-4.1,;13.16,-3.01,;13.32,-1.48,;11.91,-.86,;10.88,-2,;11.65,-3.33,;9.34,-2,;8.19,-1.3,;7.85,-2.06,;7.03,-2.06,;7.03,-.67,;8.57,-.67,;6.26,-2,;4.72,-2,;3.95,-.67,;4.72,.67,;2.41,-.67,;1.64,-2,;.1,-2,;-.67,-.67,;-2.21,-.67,;-2.98,.67,;-4.52,.67,;-5.29,-.67,;-4.52,-2,;-2.98,-2,;-6.83,-.67,;-7.6,.67,;-9.14,.67,;-9.91,-.67,;-9.14,-2,;-7.6,-2,;-11.45,-.67,;-11.45,-2.21,;-11.45,.87,;-12.99,-.67,;-14.32,-1.44,;-14.32,.1,;.1,.67,;-.67,2,;.1,3.33,;1.64,3.33,;2.41,2,;1.64,.67,;7.03,-3.33,;8.04,-2.82,;8.57,-3.33,)| Show InChI InChI=1S/C34H42N8O4S/c1-22-36-32(46-38-22)34-18-23-16-24(19-34)31(25(17-23)20-34)37-33(43)42-15-14-41(28-4-2-3-5-29(28)42)30-9-6-26(21-35-30)39-10-12-40(13-11-39)47(44,45)27-7-8-27/h2-6,9,21,23-25,27,31H,7-8,10-20H2,1H3,(H,37,43)/t23?,24?,25?,31-,34+ | PDB
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US Patent
| Assay Description
The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in... |
US Patent US8536173 (2013)
BindingDB Entry DOI: 10.7270/Q2RB737X |
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