Found 94 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)) | BDBM186151
(US9163012, 68)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4c(Cl)cccc4[nH]c1=O)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:31:4.5.30,6:5:31:7.9.8,THB:9:7:4:31.29.30,9:29:4:7.6.8,10:9:31:4.5.30,(-8.38,-1.67,;-7.04,-2.44,;-7.04,-3.98,;-5.71,-1.67,;-6.54,-3.58,;-5.15,-2.93,;-3.94,-3.6,;-3.05,-1.67,;-4.38,-2.45,;-3.05,-.13,;-1.71,.64,;-.38,-.13,;-.38,-1.67,;.95,.64,;.95,2.18,;2.42,2.65,;3.32,1.41,;2.42,.16,;4.86,1.41,;5.77,.16,;5.45,-1.35,;3.96,-1.75,;6.59,-2.38,;8.06,-1.9,;8.38,-.4,;7.23,.64,;7.23,2.18,;5.77,2.65,;5,3.98,;-4.38,.63,;-5.13,-.53,;-5.71,-.13,)| | 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 | 0.460 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186136
(US9163012, 53)Show SMILES Cn1ccc(cc1=O)-c1csc(n1)[C@H]1CCCN1C(=O)OC1C2CC3CC(C2)CC1C3 |r,wD:13.14,TLB:20:21:23:25.26.27,THB:21:29:25:23.22.27,21:22:25:29.28.30,28:29:23:25.26.27,28:26:23:29.21.30,(3.94,-6.2,;3.54,-4.71,;2.06,-4.31,;1.66,-2.83,;2.75,-1.74,;4.23,-2.14,;4.63,-3.62,;6.12,-4.02,;2.35,-.25,;.88,.23,;.88,1.77,;2.35,2.24,;3.25,1,;3.12,3.57,;4.58,4.05,;4.58,5.59,;3.12,6.07,;2.21,4.82,;.72,4.42,;.32,2.94,;-.36,5.51,;-1.85,5.11,;-2.94,6.2,;-4.42,5.8,;-4.82,4.32,;-6.12,2.7,;-4.6,2.96,;-3.97,5.27,;-3.61,2,;-2.25,3.63,;-3.73,3.23,)| Show InChI InChI=1S/C24H29N3O3S/c1-26-6-4-16(12-21(26)28)19-13-31-23(25-19)20-3-2-5-27(20)24(29)30-22-17-8-14-7-15(10-17)11-18(22)9-14/h4,6,12-15,17-18,20,22H,2-3,5,7-11H2,1H3/t14?,15?,17?,18?,20-,22?/m1/s1 | 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 | 0.470 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186117
(US9163012, 34)Show SMILES Clc1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:14:15:17:19.20.21,THB:15:23:19:17.16.21,15:16:19:23.22.24,22:23:17:19.20.21,22:20:17:23.15.24,(8.14,-2.67,;6.8,-1.9,;5.47,-2.67,;4.14,-1.9,;4.14,-.36,;5.47,.41,;6.8,-.36,;2.8,.41,;2.8,1.95,;1.34,2.43,;.43,1.18,;1.34,-.07,;-1.05,.78,;-1.45,-.71,;-2.14,1.87,;-3.63,1.47,;-4.59,2.67,;-6.11,2.44,;-6.67,1,;-8.14,-.46,;-6.6,-.37,;-5.72,1.86,;-5.73,-1.43,;-4.19,.04,;-5.71,-.2,)| Show InChI InChI=1S/C19H24ClN3O2/c20-16-8-21-18(22-9-16)13-1-2-23(10-13)19(24)25-17-14-4-11-3-12(6-14)7-15(17)5-11/h8-9,11-15,17H,1-7,10H2 | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186088
(US9163012, 6)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:9.10,wD:3.2,16.19,TLB:6:7:31:4.5.30,6:5:31:7.9.8,THB:9:7:4:31.29.30,9:29:4:7.6.8,10:9:31:4.5.30,(-9.47,-2.61,;-8.38,-3.7,;-8.78,-5.19,;-6.89,-3.3,;-7.73,-5.2,;-6.33,-4.56,;-5.13,-5.23,;-4.23,-3.3,;-5.56,-4.07,;-4.23,-1.76,;-2.9,-.99,;-1.56,-1.76,;-1.56,-3.3,;-.23,-.99,;-.23,.55,;1.23,1.03,;2.14,-.22,;1.23,-1.47,;3.63,-.62,;4.72,.47,;4.32,1.96,;5.41,3.05,;6.89,2.65,;7.29,1.16,;6.2,.07,;7.98,3.74,;7.58,5.23,;9.47,3.34,;9.07,4.83,;-5.56,-.99,;-6.31,-2.16,;-6.89,-1.76,)| Show InChI InChI=1S/C22H26F3N3O4/c23-22(24,25)15-1-2-17(27-10-15)31-16-3-4-28(11-16)20(30)32-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)29/h1-2,10,12-14,16,18H,3-9,11H2,(H2,26,29)/t12?,13?,14?,16-,18-,21-/m0/s1 | 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 | 0.540 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186154
(US9163012, 71)Show SMILES Cn1c2cccc(Cl)c2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:18.19,wD:25.32,10.10,TLB:18:19:26:24.23.22,17:18:24:26.21.22,THB:18:23:26:19.20.27,20:19:24:26.21.22,20:21:24:19.18.27,(8.47,2.95,;7.14,2.18,;7.14,.64,;8.28,-.4,;7.96,-1.9,;6.5,-2.38,;5.35,-1.35,;3.87,-1.75,;5.67,.16,;4.77,1.41,;3.23,1.41,;2.32,2.65,;.86,2.18,;.86,.64,;2.32,.16,;-.48,-.13,;-.48,-1.67,;-1.81,.64,;-3.14,-.13,;-3.14,-1.67,;-4.04,-3.6,;-5.24,-2.93,;-5.23,-.53,;-4.47,.63,;-5.8,-.13,;-5.8,-1.67,;-6.64,-3.58,;-4.47,-2.45,;-7.14,-2.44,;-8.47,-1.67,;-7.14,-3.98,;5.67,2.65,;4.9,3.98,)| Show InChI InChI=1S/C24H29ClN4O4/c1-27-18-4-2-3-17(25)19(18)29(22(27)31)16-5-6-28(12-16)23(32)33-20-14-7-13-8-15(20)11-24(9-13,10-14)21(26)30/h2-4,13-16,20H,5-12H2,1H3,(H2,26,30)/t13?,14?,15?,16-,20-,24-/m0/s1 | 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 | 0.670 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186084
(US9163012, 2)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Oc1ncc(F)cc1F)C(C3)C2 |r,wU:9.10,wD:3.2,16.19,TLB:6:7:29:4.5.28,6:5:29:7.9.8,THB:9:7:4:29.27.28,9:27:4:7.6.8,10:9:29:4.5.28,(-8.79,-1.48,;-7.7,-2.57,;-8.1,-4.06,;-6.21,-2.17,;-7.04,-4.07,;-5.65,-3.43,;-4.45,-4.1,;-3.55,-2.17,;-4.88,-2.94,;-3.55,-.63,;-2.22,.14,;-.88,-.63,;-.88,-2.17,;.45,.14,;.93,1.6,;2.47,1.6,;2.94,.14,;1.7,-.77,;4.43,-.26,;5.52,.83,;7.01,.43,;8.1,1.52,;7.7,3.01,;8.79,4.1,;6.21,3.4,;5.12,2.32,;3.63,2.71,;-4.88,.14,;-5.63,-1.03,;-6.21,-.63,)| Show InChI InChI=1S/C21H25F2N3O4/c22-14-5-16(23)18(25-9-14)29-15-1-2-26(10-15)20(28)30-17-12-3-11-4-13(17)8-21(6-11,7-12)19(24)27/h5,9,11-13,15,17H,1-4,6-8,10H2,(H2,24,27)/t11?,12?,13?,15-,17-,21-/m0/s1 | 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 | 0.680 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186150
(US9163012, 67)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)n1c4c(Cl)cccc4[nH]c1=O)C(C3)C2 |r,wU:9.10,wD:3.2,16.19,TLB:6:7:31:4.5.30,6:5:31:7.9.8,THB:9:7:4:31.29.30,9:29:4:7.6.8,10:9:31:4.5.30,(-8.38,-1.67,;-7.04,-2.44,;-7.04,-3.98,;-5.71,-1.67,;-6.54,-3.58,;-5.15,-2.93,;-3.94,-3.6,;-3.05,-1.67,;-4.38,-2.45,;-3.05,-.13,;-1.71,.64,;-.38,-.13,;-.38,-1.67,;.95,.64,;.95,2.18,;2.42,2.65,;3.32,1.41,;2.42,.16,;4.86,1.41,;5.77,.16,;5.45,-1.35,;3.96,-1.75,;6.59,-2.38,;8.06,-1.9,;8.38,-.4,;7.23,.64,;7.23,2.18,;5.77,2.65,;5,3.98,;-4.38,.63,;-5.13,-.53,;-5.71,-.13,)| | 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 | 0.680 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186134
(US9163012, 51)Show SMILES O=C(OC1C2CC3CC(C2)CC1C3)N1CCC(C1)c1nc(cs1)-c1ccncc1 |TLB:2:3:5:7.8.9,THB:3:11:7:5.4.9,3:4:7:11.10.12,10:11:5:7.8.9,10:8:5:11.3.12,(-2.99,-.8,;-2.59,.69,;-3.68,1.78,;-5.17,1.38,;-6.25,2.47,;-7.74,2.07,;-8.14,.58,;-9.43,-1.04,;-7.92,-.78,;-7.28,1.54,;-6.93,-1.73,;-5.56,-.11,;-7.05,-.51,;-1.1,1.09,;-.2,2.33,;1.27,1.86,;1.27,.32,;-.2,-.16,;2.6,-.45,;4.07,.02,;4.97,-1.22,;4.07,-2.47,;2.6,-1.99,;6.46,-.82,;7.55,-1.91,;9.03,-1.51,;9.43,-.03,;8.34,1.06,;6.86,.66,)| Show InChI InChI=1S/C23H27N3O2S/c27-23(28-21-18-8-14-7-15(10-18)11-19(21)9-14)26-6-3-17(12-26)22-25-20(13-29-22)16-1-4-24-5-2-16/h1-2,4-5,13-15,17-19,21H,3,6-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186143
(US9163012, 60)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)n1c4ccccc4[nH]c1=O)C(C3)C2 |r,wU:9.10,wD:3.2,16.19,TLB:6:7:30:4.5.29,6:5:30:7.9.8,THB:9:7:4:30.28.29,9:28:4:7.6.8,10:9:30:4.5.29,(-8.38,-1.67,;-7.04,-2.44,;-7.04,-3.98,;-5.71,-1.67,;-6.54,-3.58,;-5.15,-2.93,;-3.94,-3.6,;-3.05,-1.67,;-4.38,-2.45,;-3.05,-.13,;-1.71,.64,;-.38,-.13,;-.38,-1.67,;.95,.64,;.95,2.18,;2.42,2.65,;3.32,1.41,;2.42,.16,;4.86,1.41,;5.77,.16,;5.45,-1.35,;6.59,-2.38,;8.06,-1.9,;8.38,-.4,;7.23,.64,;7.23,2.18,;5.77,2.65,;5,3.98,;-4.38,.63,;-5.13,-.53,;-5.71,-.13,)| | 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 | 0.760 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186133
(US9163012, 50)Show SMILES O=C(OC1C2CC3CC(C2)CC1C3)N1CCC[C@@H]1c1nc(cs1)-c1ccncc1 |r,wD:17.21,TLB:2:3:5:7.8.9,THB:3:11:7:5.4.9,3:4:7:11.10.12,10:11:5:7.8.9,10:8:5:11.3.12,(1.07,2.19,;1.47,3.68,;.38,4.77,;-1.11,4.37,;-2.19,5.46,;-3.68,5.06,;-4.08,3.57,;-5.38,1.95,;-3.86,2.21,;-3.22,4.53,;-2.87,1.26,;-1.51,2.88,;-2.99,2.48,;2.96,4.08,;3.86,5.32,;5.33,4.85,;5.33,3.31,;3.86,2.83,;3.09,1.5,;4,.25,;3.09,-.99,;1.63,-.52,;1.63,1.02,;3.49,-2.48,;2.4,-3.57,;2.8,-5.06,;4.29,-5.46,;5.38,-4.37,;4.98,-2.88,)| Show InChI InChI=1S/C23H27N3O2S/c27-23(28-21-17-9-14-8-15(11-17)12-18(21)10-14)26-7-1-2-20(26)22-25-19(13-29-22)16-3-5-24-6-4-16/h3-6,13-15,17-18,20-21H,1-2,7-12H2/t14?,15?,17?,18?,20-,21?/m1/s1 | 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 | 0.910 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186087
(US9163012, 5)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:31:4.5.30,6:5:31:7.9.8,THB:9:7:4:31.29.30,9:29:4:7.6.8,10:9:31:4.5.30,(-9.53,-2.22,;-8.44,-3.31,;-8.84,-4.8,;-6.95,-2.91,;-7.79,-4.81,;-6.39,-4.17,;-5.19,-4.84,;-4.29,-2.91,;-5.62,-3.68,;-4.29,-1.37,;-2.96,-.6,;-1.63,-1.37,;-1.63,-2.91,;-.29,-.61,;.18,.86,;1.72,.86,;2.2,-.61,;.95,-1.51,;3.69,-1,;4.78,.08,;4.38,1.57,;5.47,2.66,;6.95,2.26,;7.35,.78,;6.26,-.31,;8.04,3.35,;9.53,2.95,;7.64,4.84,;9.13,4.44,;-5.62,-.6,;-6.38,-1.77,;-6.95,-1.37,)| Show InChI InChI=1S/C22H26F3N3O4/c23-22(24,25)15-1-2-17(27-10-15)31-16-3-4-28(11-16)20(30)32-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)29/h1-2,10,12-14,16,18H,3-9,11H2,(H2,26,29)/t12?,13?,14?,16-,18-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186146
(US9163012, 63)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)n1c4ccc(F)cc4[nH]c1=O)C(C3)C2 |r,wU:9.10,wD:3.2,16.19,TLB:6:7:31:4.5.30,6:5:31:7.9.8,THB:9:7:4:31.29.30,9:29:4:7.6.8,10:9:31:4.5.30,(-8.79,-1.67,;-7.46,-2.44,;-7.46,-3.98,;-6.12,-1.67,;-6.96,-3.58,;-5.56,-2.93,;-4.36,-3.6,;-3.46,-1.67,;-4.79,-2.45,;-3.46,-.13,;-2.13,.64,;-.79,-.13,;-.79,-1.67,;.54,.64,;.54,2.18,;2.01,2.65,;2.91,1.41,;2.01,.16,;4.45,1.41,;5.36,.16,;5.04,-1.35,;6.18,-2.38,;7.64,-1.9,;8.79,-2.93,;7.96,-.4,;6.82,.64,;6.82,2.18,;5.36,2.65,;4.59,3.98,;-4.79,.63,;-5.54,-.53,;-6.12,-.13,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.01 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186152
(US9163012, 69)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4ncc(Cl)cc4[nH]c1=O)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:31:4.5.30,6:5:31:7.9.8,THB:9:7:4:31.29.30,9:29:4:7.6.8,10:9:31:4.5.30,(-8.76,-1.67,;-7.43,-2.44,;-7.43,-3.98,;-6.09,-1.67,;-6.93,-3.58,;-5.53,-2.93,;-4.33,-3.6,;-3.43,-1.67,;-4.76,-2.45,;-3.43,-.13,;-2.1,.64,;-.77,-.13,;-.77,-1.67,;.57,.64,;.57,2.18,;2.03,2.65,;2.94,1.41,;2.03,.16,;4.48,1.41,;5.38,.16,;5.06,-1.35,;6.21,-2.38,;7.67,-1.9,;8.76,-2.99,;7.99,-.4,;6.85,.64,;6.85,2.18,;5.38,2.65,;4.61,3.98,;-4.76,.63,;-5.52,-.53,;-6.09,-.13,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.04 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186114
(US9163012, 32)Show SMILES Cn1c(nc2ccccc12)C1CCCN1C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:18:19:26:24.23.22,17:18:24:26.21.22,THB:18:23:26:19.20.27,20:19:24:26.21.22,20:21:24:19.18.27,(7.18,.9,;5.85,.13,;4.38,.6,;3.48,-.64,;4.38,-1.89,;4.06,-3.4,;5.21,-4.43,;6.67,-3.95,;6.99,-2.44,;5.85,-1.41,;3.61,1.94,;4.52,3.18,;3.61,4.43,;2.15,3.95,;2.15,2.41,;.81,1.64,;.81,.1,;-.52,2.41,;-1.85,1.64,;-1.85,.1,;-2.75,-1.82,;-3.95,-1.16,;-3.94,1.24,;-3.18,2.41,;-4.51,1.64,;-4.51,.1,;-5.35,-1.8,;-3.18,-.67,;-5.85,-.67,;-7.18,.1,;-5.85,-2.21,)| Show InChI InChI=1S/C24H30N4O3/c1-27-18-6-3-2-5-17(18)26-21(27)19-7-4-8-28(19)23(30)31-20-15-9-14-10-16(20)13-24(11-14,12-15)22(25)29/h2-3,5-6,14-16,19-20H,4,7-13H2,1H3,(H2,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.08 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186159
(US9163012, 76)Show SMILES Cc1nc2cccc(Cl)c2n1[C@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:11.12,TLB:19:20:27:25.24.23,18:19:25:27.22.23,THB:19:24:27:20.21.28,21:20:25:27.22.23,21:22:25:20.19.28,(5,3.98,;5.77,2.65,;7.23,2.18,;7.23,.64,;8.38,-.4,;8.06,-1.9,;6.59,-2.38,;5.45,-1.35,;3.96,-1.75,;5.77,.16,;4.86,1.41,;3.32,1.41,;2.42,2.65,;.95,2.18,;.95,.64,;2.42,.16,;-.38,-.13,;-.38,-1.67,;-1.71,.64,;-3.05,-.13,;-3.05,-1.67,;-3.94,-3.6,;-5.15,-2.93,;-5.13,-.53,;-4.38,.63,;-5.71,-.13,;-5.71,-1.67,;-6.54,-3.58,;-4.38,-2.45,;-7.04,-2.44,;-8.38,-1.67,;-7.04,-3.98,)| Show InChI InChI=1S/C24H29ClN4O3/c1-13-27-19-4-2-3-18(25)20(19)29(13)17-5-6-28(12-17)23(31)32-21-15-7-14-8-16(21)11-24(9-14,10-15)22(26)30/h2-4,14-17,21H,5-12H2,1H3,(H2,26,30)/t14?,15?,16?,17-,21?,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
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Similars
| US Patent
| n/a | n/a | 1.11 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186108
(US9163012, 26)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:9:7:4:27.25.26,9:25:4:7.6.8,10:9:27:4.5.26,(-8.83,-1.01,;-7.49,-1.78,;-7.49,-3.32,;-6.16,-1.01,;-6.99,-2.91,;-5.6,-2.27,;-4.39,-2.93,;-3.5,-1.01,;-4.82,-1.78,;-3.5,.53,;-2.16,1.3,;-.83,.53,;-.83,-1.01,;.51,1.3,;.51,2.84,;1.97,3.32,;2.87,2.07,;1.97,.83,;4.36,1.67,;4.76,.19,;6.25,-.21,;7.34,.88,;8.83,.48,;6.94,2.36,;5.45,2.76,;-4.82,1.3,;-5.58,.14,;-6.16,.53,)| Show InChI InChI=1S/C20H25ClN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26)/t11?,12?,13?,14?,16-,20- | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.12 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186163
(US9163012, 26, Isomer 1a | US9163012, 26, Isomer 1...)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:9:7:4:27.25.26,9:25:4:7.6.8,10:9:27:4.5.26,(-8.83,-1.01,;-7.49,-1.78,;-7.49,-3.32,;-6.16,-1.01,;-6.99,-2.91,;-5.6,-2.27,;-4.39,-2.93,;-3.5,-1.01,;-4.82,-1.78,;-3.5,.53,;-2.16,1.3,;-.83,.53,;-.83,-1.01,;.51,1.3,;.51,2.84,;1.97,3.32,;2.87,2.07,;1.97,.83,;4.36,1.67,;4.76,.19,;6.25,-.21,;7.34,.88,;8.83,.48,;6.94,2.36,;5.45,2.76,;-4.82,1.3,;-5.58,.14,;-6.16,.53,)| Show InChI InChI=1S/C20H25ClN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 1.15 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186135
(US9163012, 52)Show SMILES [O-][n+]1ccc(cc1)-c1csc(n1)[C@H]1CCCN1C(=O)OC1C2CC3CC(C2)CC1C3 |r,wD:12.13,TLB:19:20:22:24.25.26,THB:20:28:24:22.21.26,20:21:24:28.27.29,27:28:22:24.25.26,27:25:22:28.20.29,(9.6,-12.72,;9.2,-11.23,;7.71,-10.83,;7.31,-9.34,;8.4,-8.25,;9.89,-8.65,;10.29,-10.14,;8,-6.77,;6.54,-6.29,;6.54,-4.75,;8,-4.27,;8.91,-5.52,;8.77,-2.94,;10.24,-2.47,;10.24,-.93,;8.77,-.45,;7.87,-1.7,;6.38,-2.09,;5.98,-3.58,;5.29,-1.01,;3.8,-1.4,;2.85,-.2,;1.32,-.44,;.76,-1.87,;-.7,-3.34,;.83,-3.25,;1.72,-1.02,;1.71,-4.31,;3.24,-2.84,;1.73,-3.07,)| Show InChI InChI=1S/C23H27N3O3S/c27-23(29-21-17-9-14-8-15(11-17)12-18(21)10-14)26-5-1-2-20(26)22-24-19(13-30-22)16-3-6-25(28)7-4-16/h3-4,6-7,13-15,17-18,20-21H,1-2,5,8-12H2/t14?,15?,17?,18?,20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.19 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186083
(US9163012, 1)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Oc1ncc(F)cc1F)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:29:4.5.28,6:5:29:7.9.8,THB:9:7:4:29.27.28,9:27:4:7.6.8,10:9:29:4.5.28,(-7.63,-22.85,;-6.3,-23.62,;-6.3,-25.16,;-4.97,-22.85,;-5.8,-24.76,;-4.4,-24.11,;-3.2,-24.78,;-2.3,-22.85,;-3.63,-23.63,;-2.3,-21.31,;-.97,-20.54,;.36,-21.32,;.36,-22.86,;1.7,-20.55,;1.7,-19.01,;3.16,-18.53,;4.07,-19.78,;3.16,-21.02,;5.61,-19.78,;6.38,-18.44,;7.87,-18.84,;8.95,-17.75,;8.56,-16.26,;9.64,-15.18,;7.07,-15.87,;5.98,-16.95,;4.49,-16.56,;-3.63,-20.55,;-4.39,-21.71,;-4.97,-21.31,)| Show InChI InChI=1S/C21H25F2N3O4/c22-14-5-16(23)18(25-9-14)29-15-1-2-26(10-15)20(28)30-17-12-3-11-4-13(17)8-21(6-11,7-12)19(24)27/h5,9,11-13,15,17H,1-4,6-8,10H2,(H2,24,27)/t11?,12?,13?,15-,17-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.54 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186118
(US9163012, 35, Isomer 1 | US9163012, 35, Isomer 2)Show SMILES Cc1ccc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,.69,;5.08,.69,;4.31,2.03,;5.08,3.36,;6.62,3.36,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C22H29N3O3/c1-13-2-3-18(24-11-13)15-4-5-25(12-15)21(27)28-19-16-6-14-7-17(19)10-22(8-14,9-16)20(23)26/h2-3,11,14-17,19H,4-10,12H2,1H3,(H2,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.61 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186147
(US9163012, 64)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)n1c4ccc(cc4[nH]c1=O)C#N)C(C3)C2 |r,wU:9.10,wD:3.2,16.19,TLB:6:7:32:4.5.31,6:5:32:7.9.8,THB:9:7:4:32.30.31,9:30:4:7.6.8,10:9:32:4.5.31,(-9.33,-1.66,;-8,-2.43,;-8,-3.97,;-6.67,-1.66,;-7.5,-3.56,;-6.1,-2.91,;-4.9,-3.58,;-4,-1.66,;-5.33,-2.43,;-4,-.12,;-2.67,.65,;-1.34,-.12,;-1.34,-1.66,;-0,.65,;-0,2.19,;1.46,2.67,;2.37,1.42,;1.46,.18,;3.91,1.42,;4.81,.18,;4.49,-1.33,;5.64,-2.36,;7.1,-1.88,;7.42,-.38,;6.28,.65,;6.28,2.19,;4.81,2.67,;4.04,4,;8.24,-2.91,;9.33,-4,;-5.33,.65,;-6.09,-.51,;-6.67,-.12,)| | 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 | 1.71 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186163
(US9163012, 26, Isomer 1a | US9163012, 26, Isomer 1...)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:9:7:4:27.25.26,9:25:4:7.6.8,10:9:27:4.5.26,(-8.83,-1.01,;-7.49,-1.78,;-7.49,-3.32,;-6.16,-1.01,;-6.99,-2.91,;-5.6,-2.27,;-4.39,-2.93,;-3.5,-1.01,;-4.82,-1.78,;-3.5,.53,;-2.16,1.3,;-.83,.53,;-.83,-1.01,;.51,1.3,;.51,2.84,;1.97,3.32,;2.87,2.07,;1.97,.83,;4.36,1.67,;4.76,.19,;6.25,-.21,;7.34,.88,;8.83,.48,;6.94,2.36,;5.45,2.76,;-4.82,1.3,;-5.58,.14,;-6.16,.53,)| Show InChI InChI=1S/C20H25ClN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26) | 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 | 1.91 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186142
(US9163012, 59)Show SMILES Cc1nc2cccc(Cl)c2n1[C@@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:11.12,TLB:19:20:27:25.24.23,18:19:25:27.22.23,THB:19:24:27:20.21.28,21:20:25:27.22.23,21:22:25:20.19.28,(5,3.98,;5.77,2.65,;7.23,2.18,;7.23,.64,;8.38,-.4,;8.06,-1.9,;6.59,-2.38,;5.45,-1.35,;3.98,-1.82,;5.77,.16,;4.86,1.41,;3.32,1.41,;2.42,2.65,;.95,2.18,;.95,.64,;2.42,.16,;-.38,-.13,;-.38,-1.67,;-1.71,.64,;-3.05,-.13,;-3.05,-1.67,;-3.94,-3.6,;-5.15,-2.93,;-5.13,-.53,;-4.38,.63,;-5.71,-.13,;-5.71,-1.67,;-6.54,-3.58,;-4.38,-2.45,;-7.04,-2.44,;-8.38,-1.67,;-7.04,-3.98,)| Show InChI InChI=1S/C24H29ClN4O3/c1-13-27-19-4-2-3-18(25)20(19)29(13)17-5-6-28(12-17)23(31)32-21-15-7-14-8-16(21)11-24(9-14,10-15)22(26)30/h2-4,14-17,21H,5-12H2,1H3,(H2,26,30)/t14?,15?,16?,17-,21?,24?/m1/s1 | 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 | 1.92 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186139
(US9163012, 56)Show SMILES Cn1ccc(cc1=O)-c1csc(n1)C1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:21.23,wD:28.36,TLB:21:22:29:27.26.25,20:21:27:29.24.25,THB:21:26:29:22.23.30,23:22:27:29.24.25,23:24:27:22.21.30,(9.98,-2.79,;8.89,-1.7,;9.29,-.21,;8.2,.88,;6.72,.48,;6.32,-1.01,;7.41,-2.1,;7.01,-3.58,;5.63,1.57,;5.63,3.11,;4.16,3.58,;3.26,2.34,;4.16,1.09,;1.72,2.34,;.81,3.58,;-.65,3.11,;-.65,1.57,;.81,1.09,;-1.99,.8,;-1.99,-.74,;-3.32,1.57,;-4.65,.8,;-4.65,-.74,;-5.55,-2.67,;-6.75,-2,;-6.74,.4,;-5.98,1.57,;-7.32,.8,;-7.32,-.74,;-8.15,-2.64,;-5.98,-1.51,;-8.65,-1.51,;-9.98,-.74,;-8.65,-3.05,)| Show InChI InChI=1S/C25H30N4O4S/c1-28-4-2-15(8-20(28)30)19-13-34-22(27-19)16-3-5-29(12-16)24(32)33-21-17-6-14-7-18(21)11-25(9-14,10-17)23(26)31/h2,4,8,13-14,16-18,21H,3,5-7,9-12H2,1H3,(H2,26,31)/t14?,16?,17?,18?,21-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.95 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186099
(US9163012, 17)Show SMILES Cn1c2ccc(cc2ccc1=O)C1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:19:20:22:24.25.26,THB:20:28:24:22.21.26,20:21:24:28.27.29,27:28:22:24.25.26,27:25:22:28.20.29,(7.02,-1.27,;6.62,.22,;5.13,.62,;4.04,-.47,;2.56,-.07,;2.16,1.41,;3.25,2.5,;4.73,2.1,;5.82,3.19,;7.31,2.79,;7.71,1.31,;9.2,.91,;.67,1.81,;-.24,3.06,;-1.7,2.58,;-1.7,1.04,;-.24,.57,;-3.03,.27,;-3.03,-1.27,;-4.37,1.04,;-5.7,.27,;-7.03,1.04,;-8.36,.27,;-8.36,-1.27,;-9.2,-3.17,;-7.8,-2.53,;-7.78,-.12,;-6.6,-3.19,;-5.7,-1.27,;-7.03,-2.04,)| Show InChI InChI=1S/C25H30N2O3/c1-26-22-4-2-17(13-18(22)3-5-23(26)28)19-6-7-27(14-19)25(29)30-24-20-9-15-8-16(11-20)12-21(24)10-15/h2-5,13,15-16,19-21,24H,6-12,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.96 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186132
(US9163012, 49)Show SMILES CC(C)(O)CC1(CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)c1ccccc1 |r,wU:13.13,wD:20.26,TLB:12:13:19:21.16.17,13:14:21:19.18.17,THB:13:18:21:14.15.22,15:14:19:21.16.17,15:16:19:14.13.22,(4.96,3.98,;6.05,2.89,;6.45,4.38,;7.54,3.29,;5.65,1.41,;4.16,1.01,;3.26,2.25,;1.79,1.78,;1.79,.24,;3.26,-.24,;.46,-.53,;.46,-2.07,;-.87,.24,;-2.21,-.53,;-2.21,-2.07,;-3.1,-4,;-4.31,-3.33,;-4.29,-.93,;-3.54,.24,;-4.87,-.53,;-4.87,-2.07,;-5.7,-3.97,;-3.54,-2.84,;-6.2,-2.84,;-7.54,-2.07,;-6.2,-4.38,;4.56,-.48,;3.47,-1.57,;3.87,-3.06,;5.36,-3.45,;6.45,-2.37,;6.05,-.88,)| Show InChI InChI=1S/C26H36N2O4/c1-24(2,31)15-25(20-6-4-3-5-7-20)8-9-28(16-25)23(30)32-21-18-10-17-11-19(21)14-26(12-17,13-18)22(27)29/h3-7,17-19,21,31H,8-16H2,1-2H3,(H2,27,29)/t17?,18?,19?,21-,25?,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.07 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186138
(US9163012, 55)Show SMILES Cn1ccc(cc1=O)-c1csc(n1)[C@H]1CCCN1C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:21.23,wD:28.36,13.14,TLB:21:22:29:27.26.25,20:21:27:29.24.25,THB:21:26:29:22.23.30,23:22:27:29.24.25,23:24:27:22.21.30,(8.29,-5.1,;7.2,-4.01,;5.72,-4.41,;4.63,-3.32,;5.03,-1.83,;6.51,-1.43,;7.6,-2.52,;9.09,-2.12,;3.94,-.74,;2.47,-1.22,;1.57,.03,;2.47,1.27,;3.94,.8,;1.7,2.61,;2.61,3.85,;1.7,5.1,;.24,4.62,;.24,3.08,;-1.09,2.31,;-1.09,.77,;-2.43,3.08,;-3.76,2.31,;-3.76,.77,;-4.66,-1.15,;-5.86,-.48,;-5.85,1.92,;-5.09,3.08,;-6.42,2.31,;-6.42,.77,;-7.26,-1.13,;-5.09,0,;-7.76,0,;-9.09,.77,;-7.76,-1.54,)| Show InChI InChI=1S/C25H30N4O4S/c1-28-6-4-15(9-20(28)30)18-13-34-22(27-18)19-3-2-5-29(19)24(32)33-21-16-7-14-8-17(21)12-25(10-14,11-16)23(26)31/h4,6,9,13-14,16-17,19,21H,2-3,5,7-8,10-12H2,1H3,(H2,26,31)/t14?,16?,17?,19-,21-,25-/m1/s1 | 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 | 2.07 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186125
(US9163012, 42, Isomer 1 | US9163012, 42, Isomer 2)Show SMILES Cc1csc(n1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:13:14:20:22.17.18,14:15:22:20.19.18,THB:14:19:22:15.16.23,16:15:20:22.17.18,16:17:20:15.14.23,(8.47,.53,;7.14,1.3,;7.14,2.84,;5.67,3.32,;4.77,2.07,;5.67,.83,;3.23,2.07,;2.32,3.32,;.86,2.84,;.86,1.3,;2.32,.83,;-.48,.53,;-.48,-1.01,;-1.81,1.3,;-3.14,.53,;-3.14,-1.01,;-4.04,-2.93,;-5.24,-2.27,;-5.23,.14,;-4.47,1.3,;-5.8,.53,;-5.8,-1.01,;-6.64,-2.91,;-4.47,-1.78,;-7.14,-1.78,;-8.47,-1.01,;-7.14,-3.32,)| Show InChI InChI=1S/C20H27N3O3S/c1-11-10-27-17(22-11)13-2-3-23(9-13)19(25)26-16-14-4-12-5-15(16)8-20(6-12,7-14)18(21)24/h10,12-16H,2-9H2,1H3,(H2,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.08 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186157
(US9163012, 74, Isomer 1 | US9163012, 74, Isomer 2)Show SMILES Cc1nc2cc(F)ccc2n1[C@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:19.21,wD:26.34,11.12,TLB:19:20:27:25.24.23,18:19:25:27.22.23,THB:19:24:27:20.21.28,21:20:25:27.22.23,21:22:25:20.19.28,(5.73,-8.99,;6.5,-10.32,;7.96,-10.8,;7.96,-12.34,;9.11,-13.37,;8.79,-14.88,;9.88,-15.97,;7.32,-15.35,;6.18,-14.32,;6.5,-12.82,;5.59,-11.57,;4.05,-11.57,;3.15,-10.32,;1.68,-10.8,;1.68,-12.34,;3.15,-12.82,;.35,-13.11,;.35,-14.65,;-.98,-12.34,;-2.32,-13.11,;-2.32,-14.65,;-3.21,-16.57,;-4.42,-15.91,;-4.4,-13.5,;-3.65,-12.34,;-4.98,-13.11,;-4.98,-14.65,;-5.81,-16.55,;-3.65,-15.42,;-6.31,-15.42,;-7.65,-14.65,;-6.31,-16.96,)| Show InChI InChI=1S/C24H29FN4O3/c1-13-27-19-8-17(25)2-3-20(19)29(13)18-4-5-28(12-18)23(31)32-21-15-6-14-7-16(21)11-24(9-14,10-15)22(26)30/h2-3,8,14-16,18,21H,4-7,9-12H2,1H3,(H2,26,30)/t14?,15?,16?,18-,21-,24-/m0/s1 | 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 | 2.22 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186106
(US9163012, 24, Isomer 1 | US9163012, 24, Isomer 2)Show SMILES OC12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |TLB:4:5:25:2.3.24,4:3:25:5.7.6,THB:7:5:2:25.23.24,7:23:2:5.4.6,8:7:25:2.3.24,(-8.16,-1.97,;-6.82,-1.2,;-7.66,-3.1,;-6.26,-2.46,;-5.06,-3.13,;-4.16,-1.2,;-5.49,-1.97,;-4.16,.34,;-2.83,1.11,;-1.5,.34,;-1.5,-1.2,;-.16,1.11,;-.16,2.65,;1.3,3.13,;2.21,1.88,;1.3,.63,;3.7,1.48,;4.09,-.01,;5.58,-.4,;6.67,.68,;8.16,.29,;6.27,2.17,;4.78,2.57,;-5.49,1.11,;-6.25,-.06,;-6.82,.34,)| Show InChI InChI=1S/C19H24ClN3O3/c20-15-8-21-17(22-9-15)12-1-2-23(10-12)18(24)26-16-13-3-11-4-14(16)7-19(25,5-11)6-13/h8-9,11-14,16,25H,1-7,10H2 | 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 | 2.29 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186149
(US9163012, 66)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4ccc(cc4[nH]c1=O)C#N)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:32:4.5.31,6:5:32:7.9.8,THB:9:7:4:32.30.31,9:30:4:7.6.8,10:9:32:4.5.31,(-9.33,-20.25,;-8,-21.02,;-8,-22.56,;-6.67,-20.25,;-7.5,-22.15,;-6.1,-21.51,;-4.9,-22.17,;-4,-20.25,;-5.33,-21.02,;-4,-18.71,;-2.67,-17.94,;-1.34,-18.71,;-1.34,-20.25,;-0,-17.94,;-0,-16.4,;1.46,-15.92,;2.37,-17.17,;1.46,-18.42,;3.91,-17.17,;4.81,-18.42,;4.49,-19.92,;5.64,-20.95,;7.1,-20.48,;7.42,-18.97,;6.28,-17.94,;6.28,-16.4,;4.81,-15.92,;4.04,-14.59,;8.24,-21.51,;9.33,-22.6,;-5.33,-17.94,;-6.09,-19.1,;-6.67,-18.71,)| | 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 | 2.48 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186086
(US9163012, 4)Show SMILES O[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,14.17,wD:1.0,TLB:4:5:29:2.3.28,4:3:29:5.7.6,THB:7:5:2:29.27.28,7:27:2:5.4.6,8:7:29:2.3.28,(-8.91,-3.68,;-7.58,-2.91,;-8.41,-4.81,;-7.01,-4.17,;-5.81,-4.84,;-4.91,-2.91,;-6.24,-3.68,;-4.91,-1.37,;-3.58,-.6,;-2.25,-1.37,;-2.25,-2.91,;-.91,-.61,;-.44,.86,;1.1,.86,;1.58,-.61,;.33,-1.51,;3.07,-1,;4.16,.08,;3.76,1.57,;4.85,2.66,;6.33,2.26,;6.73,.78,;5.64,-.31,;7.42,3.35,;8.91,2.95,;7.02,4.84,;8.51,4.44,;-6.24,-.6,;-7,-1.77,;-7.58,-1.37,)| Show InChI InChI=1S/C21H25F3N2O4/c22-21(23,24)15-1-2-17(25-10-15)29-16-3-4-26(11-16)19(27)30-18-13-5-12-6-14(18)9-20(28,7-12)8-13/h1-2,10,12-14,16,18,28H,3-9,11H2/t12?,13?,14?,16-,18-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
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| PC cid
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Similars
| US Patent
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186137
(US9163012, 54)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCC[C@@H]1c1nc(cs1)-c1cc[nH]c(=O)c1)C(C3)C2 |r,wU:9.10,wD:3.2,17.19,TLB:6:7:32:4.5.31,6:5:32:7.9.8,THB:10:9:32:4.5.31,9:7:4:32.30.31,9:30:4:7.6.8,(-9.09,.43,;-7.76,-.34,;-7.76,-1.88,;-6.42,.43,;-7.26,-1.47,;-5.86,-.83,;-4.66,-1.5,;-3.76,.43,;-5.09,-.34,;-3.76,1.97,;-2.43,2.74,;-1.09,1.97,;-1.09,.43,;.24,2.74,;.24,4.28,;1.7,4.75,;2.61,3.51,;1.7,2.26,;2.47,.93,;3.94,.45,;3.94,-1.09,;2.47,-1.56,;1.57,-.32,;5.03,-2.18,;4.63,-3.66,;5.72,-4.75,;7.2,-4.35,;7.6,-2.87,;9.09,-2.47,;6.51,-1.78,;-5.09,2.74,;-5.85,1.57,;-6.42,1.97,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 2.67 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186131
(US9163012, 48, Isomer 1 | US9163012, 48, Isomer 2)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1nccc(n1)C(F)(F)F)C(C3)C2 |TLB:29:28:8:5.6.4,THB:4:5:9:8.3.30,4:3:9:5.6.29,29:5:8:28.9.30,10:9:8:5.6.4,(-8.83,-2.39,;-7.49,-3.16,;-7.49,-4.7,;-6.16,-2.39,;-6.99,-4.29,;-5.6,-3.64,;-5.58,-1.24,;-4.83,-.08,;-6.16,-.85,;-3.5,-.85,;-2.16,-.08,;-.83,-.85,;-.83,-2.39,;.5,-.08,;.5,1.46,;1.97,1.94,;2.87,.69,;1.97,-.55,;4.41,.69,;5.18,-.64,;6.72,-.64,;7.49,.69,;6.72,2.03,;5.18,2.03,;7.49,3.36,;8.26,4.7,;6.16,4.13,;8.83,2.59,;-3.5,-2.39,;-4.39,-4.31,;-4.83,-3.16,)| Show InChI InChI=1S/C21H25F3N4O3/c22-21(23,24)15-1-3-26-17(27-15)12-2-4-28(10-12)19(30)31-16-13-5-11-6-14(16)9-20(7-11,8-13)18(25)29/h1,3,11-14,16H,2,4-10H2,(H2,25,29) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186124
(US9163012, 41, Isomer 1 | US9163012, 41, Isomer 2)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(F)cn1)C(C3)C2 |TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:9:7:4:27.25.26,9:25:4:7.6.8,10:9:27:4.5.26,(-8.93,-1.05,;-7.6,-1.82,;-7.6,-3.36,;-6.26,-1.05,;-7.1,-2.95,;-5.7,-2.31,;-4.5,-2.98,;-3.6,-1.05,;-4.93,-1.82,;-3.6,.49,;-2.27,1.26,;-.93,.49,;-.93,-1.05,;.4,1.26,;.4,2.8,;1.86,3.27,;2.77,2.03,;1.86,.78,;4.31,2.03,;5.08,3.36,;6.62,3.36,;7.39,2.03,;8.93,2.03,;6.62,.69,;5.08,.69,;-4.93,1.26,;-5.68,.09,;-6.26,.49,)| Show InChI InChI=1S/C20H25FN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.99 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186122
(US9163012, 39, Isomer 1 | US9163012, 39, Isomer 2)Show SMILES Cc1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,3.36,;5.08,3.36,;4.31,2.03,;5.08,.69,;6.62,.69,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C21H28N4O3/c1-12-9-23-18(24-10-12)14-2-3-25(11-14)20(27)28-17-15-4-13-5-16(17)8-21(6-13,7-15)19(22)26/h9-10,13-17H,2-8,11H2,1H3,(H2,22,26) | 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 | 2.99 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186145
(US9163012, 62)Show SMILES Cn1c2ccccc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:17.18,9.9,wD:24.31,TLB:17:18:25:23.22.21,16:17:23:25.20.21,THB:17:22:25:18.19.26,19:18:23:25.20.21,19:20:23:18.17.26,(8.47,2.95,;7.14,2.18,;7.14,.64,;8.28,-.4,;7.96,-1.9,;6.5,-2.38,;5.35,-1.35,;5.67,.16,;4.77,1.41,;3.23,1.41,;2.32,2.65,;.86,2.18,;.86,.64,;2.32,.16,;-.48,-.13,;-.48,-1.67,;-1.81,.64,;-3.14,-.13,;-3.14,-1.67,;-4.04,-3.6,;-5.24,-2.93,;-5.23,-.53,;-4.47,.63,;-5.8,-.13,;-5.8,-1.67,;-6.64,-3.58,;-4.47,-2.45,;-7.14,-2.44,;-8.47,-1.67,;-7.14,-3.98,;5.67,2.65,;4.9,3.98,)| Show InChI InChI=1S/C24H30N4O4/c1-26-18-4-2-3-5-19(18)28(22(26)30)17-6-7-27(13-17)23(31)32-20-15-8-14-9-16(20)12-24(10-14,11-15)21(25)29/h2-5,14-17,20H,6-13H2,1H3,(H2,25,29)/t14?,15?,16?,17-,20-,24-/m1/s1 | 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 | 3.07 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186127
(US9163012, 44, Isomer 1 | US9163012, 44, Isomer 2)Show SMILES COc1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:22:24.19.20,16:17:24:22.21.20,THB:16:21:24:17.18.25,18:17:22:24.19.20,18:19:22:17.16.25,(9.31,3.36,;8.54,2.03,;7,2.03,;6.23,3.36,;4.69,3.36,;3.92,2.03,;4.69,.69,;6.23,.69,;2.38,2.03,;1.48,3.27,;.02,2.8,;.02,1.26,;1.48,.78,;-1.32,.49,;-1.32,-1.05,;-2.65,1.26,;-3.99,.49,;-3.99,-1.05,;-4.88,-2.98,;-6.09,-2.31,;-6.07,.09,;-5.31,1.26,;-6.65,.49,;-6.65,-1.05,;-7.48,-2.95,;-5.31,-1.82,;-7.98,-1.82,;-9.31,-1.05,;-7.98,-3.36,)| Show InChI InChI=1S/C21H28N4O4/c1-28-16-9-23-18(24-10-16)13-2-3-25(11-13)20(27)29-17-14-4-12-5-15(17)8-21(6-12,7-14)19(22)26/h9-10,12-15,17H,2-8,11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3.11 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186153
(US9163012, 70)Show SMILES Cn1c2cc(ccc2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O)C#N |r,wU:17.18,wD:24.31,9.9,TLB:17:18:25:23.22.21,16:17:23:25.20.21,THB:17:22:25:18.19.26,19:18:23:25.20.21,19:20:23:18.17.26,(7.94,-1.38,;6.6,-2.15,;6.6,-3.69,;7.75,-4.72,;7.43,-6.23,;5.96,-6.7,;4.82,-5.67,;5.14,-4.17,;4.23,-2.92,;2.69,-2.92,;1.79,-1.68,;.32,-2.15,;.32,-3.69,;1.79,-4.17,;-1.01,-4.46,;-1.01,-6,;-2.34,-3.69,;-3.68,-4.46,;-3.68,-6,;-4.57,-7.93,;-5.78,-7.26,;-5.76,-4.86,;-5,-3.69,;-6.34,-4.46,;-6.34,-6,;-7.17,-7.9,;-5,-6.77,;-7.67,-6.77,;-9.01,-6,;-7.67,-8.31,;5.14,-1.68,;4.37,-.34,;8.57,-7.26,;9.66,-8.35,)| Show InChI InChI=1S/C25H29N5O4/c1-28-20-8-14(12-26)2-3-19(20)30(23(28)32)18-4-5-29(13-18)24(33)34-21-16-6-15-7-17(21)11-25(9-15,10-16)22(27)31/h2-3,8,15-18,21H,4-7,9-11,13H2,1H3,(H2,27,31)/t15?,16?,17?,18-,21-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3.14 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186121
(US9163012, 38, Isomer 1 | US9163012, 38, Isomer 2)Show SMILES Cc1ccnc(n1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.43,3.39,;7.34,2.3,;7.74,.81,;6.65,-.28,;5.16,.12,;4.76,1.61,;5.85,2.69,;3.27,2,;2.37,3.25,;.9,2.77,;.9,1.23,;2.37,.76,;-.43,.46,;-.43,-1.08,;-1.76,1.23,;-3.1,.46,;-3.1,-1.08,;-3.99,-3,;-5.2,-2.33,;-5.18,.07,;-4.43,1.23,;-5.76,.46,;-5.76,-1.08,;-6.59,-2.98,;-4.43,-1.85,;-7.09,-1.85,;-8.43,-1.08,;-7.09,-3.39,)| Show InChI InChI=1S/C21H28N4O3/c1-12-2-4-23-18(24-12)14-3-5-25(11-14)20(27)28-17-15-6-13-7-16(17)10-21(8-13,9-15)19(22)26/h2,4,13-17H,3,5-11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3.34 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186110
(US9163012, 28)Show SMILES O[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncc(Cl)cc1[N+]([O-])=O)C(C3)C2 |r,wU:7.8,14.17,wD:1.0,TLB:4:5:29:2.3.28,4:3:29:5.7.6,THB:7:5:2:29.27.28,7:27:2:5.4.6,8:7:29:2.3.28,(-9.3,-3.09,;-7.97,-2.32,;-8.8,-4.22,;-7.41,-3.58,;-6.2,-4.25,;-5.31,-2.32,;-6.63,-3.09,;-5.31,-.78,;-3.97,-.01,;-2.64,-.78,;-2.64,-2.32,;-1.3,-.01,;-1.3,1.53,;.16,2,;1.07,.76,;.16,-.49,;2.61,.76,;3.38,-.58,;2.29,-1.67,;2.68,-3.15,;4.17,-3.55,;4.57,-5.04,;5.26,-2.46,;4.95,-.87,;6.04,.22,;7.53,-.17,;5.63,1.71,;-6.63,-.01,;-7.39,-1.18,;-7.97,-.78,)| Show InChI InChI=1S/C20H25ClN4O5/c21-14-5-16(25(28)29)18(22-9-14)23-15-1-2-24(10-15)19(26)30-17-12-3-11-4-13(17)8-20(27,6-11)7-12/h5,9,11-13,15,17,27H,1-4,6-8,10H2,(H,22,23)/t11?,12?,13?,15-,17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 3.69 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186144
(US9163012, 61)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4ccccc4[nH]c1=O)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:30:4.5.29,6:5:30:7.9.8,THB:9:7:4:30.28.29,9:28:4:7.6.8,10:9:30:4.5.29,(-8.38,-1.67,;-7.04,-2.44,;-7.04,-3.98,;-5.71,-1.67,;-6.54,-3.58,;-5.15,-2.93,;-3.94,-3.6,;-3.05,-1.67,;-4.38,-2.45,;-3.05,-.13,;-1.71,.64,;-.38,-.13,;-.38,-1.67,;.95,.64,;.95,2.18,;2.42,2.65,;3.32,1.41,;2.42,.16,;4.86,1.41,;5.77,.16,;5.45,-1.35,;6.59,-2.38,;8.06,-1.9,;8.38,-.4,;7.23,.64,;7.23,2.18,;5.77,2.65,;5,3.98,;-4.38,.63,;-5.13,-.53,;-5.71,-.13,)| | PDB
MMDB
Reactome pathway
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| US Patent
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Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186112
(US9163012, 30)Show SMILES OCC1(CCN(CC1)C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:11:13:15.16.17,THB:11:19:15:13.12.17,11:12:15:19.18.20,18:19:13:15.16.17,18:16:13:19.11.20,(-5.39,3.55,;-3.85,3.55,;-3.08,2.22,;-1.75,2.99,;-.41,2.22,;-.41,.68,;-1.75,-.09,;-3.08,.68,;.92,-.09,;.92,-1.63,;2.25,.68,;3.59,-.09,;4.92,.68,;6.25,-.09,;6.25,-1.63,;7.08,-3.53,;5.69,-2.89,;5.67,-.49,;4.48,-3.55,;3.59,-1.63,;4.92,-2.4,;-4.42,1.45,;-5.75,2.22,;-7.08,1.45,;-7.08,-.09,;-5.75,-.86,;-4.42,-.09,)| Show InChI InChI=1S/C23H31NO3/c25-15-23(20-4-2-1-3-5-20)6-8-24(9-7-23)22(26)27-21-18-11-16-10-17(13-18)14-19(21)12-16/h1-5,16-19,21,25H,6-15H2 | PDB
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Reactome pathway
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| n/a | n/a | 4.44 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186156
(US9163012, 73)Show SMILES COC(=O)Cn1c2cc(F)ccc2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:22.23,wD:29.36,14.14,TLB:22:23:30:28.27.26,21:22:28:30.25.26,THB:22:27:30:23.24.31,24:23:28:30.25.26,24:25:28:23.22.31,(8.88,7.97,;7.55,8.74,;6.22,7.97,;6.22,6.43,;4.88,8.74,;3.55,7.97,;3.55,6.43,;4.69,5.4,;4.37,3.9,;5.52,2.87,;2.91,3.42,;1.76,4.45,;2.08,5.96,;1.18,7.2,;-.36,7.2,;-1.27,8.45,;-2.73,7.97,;-2.73,6.43,;-1.27,5.96,;-4.07,5.66,;-4.07,4.12,;-5.4,6.43,;-6.73,5.66,;-6.73,4.12,;-7.63,2.2,;-8.83,2.87,;-8.82,5.27,;-8.06,6.43,;-9.39,5.66,;-9.39,4.12,;-10.23,2.22,;-8.06,3.35,;-10.73,3.35,;-12.06,4.12,;-10.73,1.81,;2.08,8.45,;1.31,9.78,)| Show InChI InChI=1S/C26H31FN4O6/c1-36-21(32)13-30-20-8-17(27)2-3-19(20)31(24(30)34)18-4-5-29(12-18)25(35)37-22-15-6-14-7-16(22)11-26(9-14,10-15)23(28)33/h2-3,8,14-16,18,22H,4-7,9-13H2,1H3,(H2,28,33)/t14?,15?,16?,18-,22-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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Similars
| US Patent
| n/a | n/a | 4.52 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186158
(US9163012, 75)Show SMILES Cc1nc2cc(ccc2n1[C@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O)C#N |r,wD:10.11,TLB:18:19:26:24.23.22,17:18:24:26.21.22,THB:18:23:26:19.20.27,20:19:24:26.21.22,20:21:24:19.18.27,(4.04,4,;4.81,2.67,;6.28,2.19,;6.28,.65,;7.42,-.38,;7.1,-1.88,;5.64,-2.36,;4.49,-1.33,;4.81,.18,;3.91,1.42,;2.37,1.42,;1.46,2.67,;-0,2.19,;-0,.65,;1.46,.18,;-1.34,-.12,;-1.34,-1.66,;-2.67,.65,;-4,-.12,;-4,-1.66,;-4.9,-3.58,;-6.1,-2.91,;-6.09,-.51,;-5.33,.65,;-6.67,-.12,;-6.67,-1.66,;-7.5,-3.56,;-5.33,-2.43,;-8,-2.43,;-9.33,-1.66,;-8,-3.97,;8.24,-2.91,;9.33,-4,)| Show InChI InChI=1S/C25H29N5O3/c1-14-28-20-8-15(12-26)2-3-21(20)30(14)19-4-5-29(13-19)24(32)33-22-17-6-16-7-18(22)11-25(9-16,10-17)23(27)31/h2-3,8,16-19,22H,4-7,9-11,13H2,1H3,(H2,27,31)/t16?,17?,18?,19-,22?,25?/m0/s1 | PDB
MMDB
Reactome pathway
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Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186097
(US9163012, 15)Show SMILES COC(=O)COCC1(CCN(CC1)C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:15:16:18:20.21.22,THB:16:24:20:18.17.22,16:17:20:24.23.25,23:24:18:20.21.22,23:21:18:24.16.25,(-7.01,5.55,;-7.78,4.22,;-7.01,2.89,;-7.78,1.55,;-5.47,2.89,;-4.7,1.55,;-3.16,1.55,;-2.39,.22,;-1.05,.99,;.28,.22,;.28,-1.32,;-1.05,-2.09,;-2.39,-1.32,;1.61,-2.09,;1.62,-3.63,;2.95,-1.32,;4.28,-2.09,;5.61,-1.32,;6.94,-2.09,;6.94,-3.63,;7.78,-5.53,;6.38,-4.89,;6.37,-2.49,;5.18,-5.55,;4.28,-3.63,;5.61,-4.4,;-3.72,-.55,;-5.06,.22,;-6.39,-.55,;-6.39,-2.09,;-5.06,-2.86,;-3.72,-2.09,)| Show InChI InChI=1S/C26H35NO5/c1-30-23(28)16-31-17-26(22-5-3-2-4-6-22)7-9-27(10-8-26)25(29)32-24-20-12-18-11-19(14-20)15-21(24)13-18/h2-6,18-21,24H,7-17H2,1H3 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 5.39 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186126
(US9163012, 43, Isomer 1 | US9163012, 43, Isomer 2)Show SMILES Cc1cc(C)nc(n1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:22:24.19.20,16:17:24:22.21.20,THB:16:21:24:17.18.25,18:17:22:24.19.20,18:19:22:17.16.25,(8.43,3.39,;7.34,2.3,;7.74,.81,;6.65,-.28,;7.05,-1.77,;5.16,.12,;4.76,1.61,;5.85,2.7,;3.27,2,;2.37,3.25,;.9,2.77,;.9,1.23,;2.37,.76,;-.43,.46,;-.43,-1.08,;-1.76,1.23,;-3.1,.46,;-3.1,-1.08,;-3.99,-3,;-5.2,-2.33,;-5.18,.07,;-4.43,1.23,;-5.76,.46,;-5.76,-1.08,;-6.59,-2.98,;-4.43,-1.85,;-7.09,-1.85,;-8.43,-1.08,;-7.09,-3.39,)| Show InChI InChI=1S/C22H30N4O3/c1-12-5-13(2)25-19(24-12)15-3-4-26(11-15)21(28)29-18-16-6-14-7-17(18)10-22(8-14,9-16)20(23)27/h5,14-18H,3-4,6-11H2,1-2H3,(H2,23,27) | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 5.72 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186085
(US9163012, 3)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Oc1ccc4nccn4n1)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:30:4.5.29,6:5:30:7.9.8,THB:9:7:4:30.28.29,9:28:4:7.6.8,10:9:30:4.5.29,(-9.48,-1.94,;-8.14,-2.71,;-8.14,-4.25,;-6.81,-1.94,;-7.64,-3.84,;-6.25,-3.2,;-5.04,-3.87,;-4.15,-1.94,;-5.47,-2.71,;-4.15,-.4,;-2.81,.37,;-1.48,-.4,;-1.48,-1.94,;-.15,.37,;.33,1.83,;1.87,1.83,;2.35,.37,;1.1,-.54,;3.83,-.03,;4.92,1.06,;4.45,2.52,;5.48,3.67,;6.98,3.35,;8.23,4.25,;9.48,3.35,;9,1.88,;7.46,1.88,;6.43,.74,;-5.47,.37,;-6.23,-.8,;-6.81,-.4,)| Show InChI InChI=1S/C22H27N5O4/c23-20(28)22-9-13-7-14(10-22)19(15(8-13)11-22)31-21(29)26-5-3-16(12-26)30-18-2-1-17-24-4-6-27(17)25-18/h1-2,4,6,13-16,19H,3,5,7-12H2,(H2,23,28)/t13?,14?,15?,16-,19-,22-/m1/s1 | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 6.39 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186093
(US9163012, 11)Show SMILES COC(=O)C1(CCN(CC1)C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:12:13:15:17.18.19,THB:13:21:17:15.14.19,13:14:17:21.20.22,20:21:15:17.18.19,20:18:15:21.13.22,(-3.85,4.89,;-3.08,3.55,;-3.85,2.22,;-5.39,2.22,;-3.08,.89,;-1.75,1.66,;-.41,.89,;-.41,-.65,;-1.75,-1.42,;-3.08,-.65,;.92,-1.42,;.92,-2.96,;2.25,-.65,;3.59,-1.42,;4.92,-.65,;6.25,-1.42,;6.25,-2.96,;7.08,-4.86,;5.69,-4.22,;5.67,-1.82,;4.48,-4.89,;3.59,-2.96,;4.92,-3.73,;-4.42,.12,;-5.75,.89,;-7.08,.12,;-7.08,-1.42,;-5.75,-2.19,;-4.42,-1.42,)| Show InChI InChI=1S/C24H31NO4/c1-28-22(26)24(20-5-3-2-4-6-20)7-9-25(10-8-24)23(27)29-21-18-12-16-11-17(14-18)15-19(21)13-16/h2-6,16-19,21H,7-15H2,1H3 | PDB
MMDB
Reactome pathway
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UniChem
Similars
| US Patent
| n/a | n/a | 6.65 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186101
(US9163012, 19)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCCC1c1ccccn1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:7:26:4.5.25,6:5:26:7.9.8,THB:9:7:4:26.24.25,9:24:4:7.6.8,10:9:26:4.5.25,(-6.56,-13.29,;-5.23,-14.06,;-5.23,-15.6,;-3.89,-13.29,;-4.73,-15.19,;-3.33,-14.55,;-2.13,-15.21,;-1.23,-13.29,;-2.56,-14.06,;-1.23,-11.75,;.1,-10.98,;1.44,-11.75,;1.44,-13.29,;2.77,-10.98,;2.77,-9.44,;4.23,-8.96,;5.14,-10.21,;4.23,-11.46,;4.63,-12.94,;3.54,-14.03,;3.94,-15.52,;5.43,-15.92,;6.52,-14.83,;6.12,-13.34,;-2.56,-10.98,;-3.31,-12.14,;-3.89,-11.75,)| Show InChI InChI=1S/C21H26N2O4/c24-19(25)21-10-13-8-14(11-21)18(15(9-13)12-21)27-20(26)23-7-3-5-17(23)16-4-1-2-6-22-16/h1-2,4,6,13-15,17-18H,3,5,7-12H2,(H,24,25)/t13?,14?,15?,17?,18-,21- | PDB
MMDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 6.74 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186123
(US9163012, 40, Isomer 1 | US9163012, 40, Isomer 2)Show SMILES Cc1cc(nn1C)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:19:18:24:20.15.21,19:20:24:18.17.23,THB:14:15:24:18.17.23,23:18:15:24.22.21,23:22:15:18.17.19,(8.47,3.47,;7.14,2.69,;5.67,3.17,;4.77,1.93,;5.67,.68,;7.14,1.15,;8.47,.38,;3.23,1.93,;2.32,3.17,;.86,2.69,;.86,1.15,;2.32,.68,;-.48,.38,;-.48,-1.15,;-1.81,1.15,;-3.14,.38,;-4.47,1.15,;-5.23,-.01,;-5.24,-2.41,;-4.04,-3.08,;-3.14,-1.15,;-4.47,-1.93,;-5.8,-1.15,;-6.64,-3.06,;-5.8,.38,;-7.14,-1.93,;-8.47,-1.15,;-7.14,-3.47,)| Show InChI InChI=1S/C21H30N4O3/c1-12-5-17(23-24(12)2)14-3-4-25(11-14)20(27)28-18-15-6-13-7-16(18)10-21(8-13,9-15)19(22)26/h5,13-16,18H,3-4,6-11H2,1-2H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
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UniChem
| US Patent
| n/a | n/a | 6.88 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186155
(US9163012, 72)Show SMILES COC(=O)Cn1c2cc(F)ccc2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:22.23,wD:29.36,14.14,TLB:22:23:30:28.27.26,21:22:28:30.25.26,THB:22:27:30:23.24.31,24:23:28:30.25.26,24:25:28:23.22.31,(10.47,2.18,;9.14,2.95,;7.8,2.18,;7.8,.64,;6.47,2.95,;5.14,2.18,;5.14,.64,;6.28,-.4,;5.96,-1.9,;7.11,-2.93,;4.5,-2.38,;3.35,-1.35,;3.67,.16,;2.77,1.41,;1.23,1.41,;.32,2.65,;-1.14,2.18,;-1.14,.64,;.32,.16,;-2.48,-.13,;-2.48,-1.67,;-3.81,.64,;-5.14,-.13,;-5.14,-1.67,;-6.04,-3.6,;-7.24,-2.93,;-7.23,-.53,;-6.47,.63,;-7.8,-.13,;-7.8,-1.67,;-8.64,-3.58,;-6.47,-2.45,;-9.14,-2.44,;-10.47,-1.67,;-9.14,-3.98,;3.67,2.65,;2.9,3.98,)| Show InChI InChI=1S/C26H31FN4O6/c1-36-21(32)13-30-20-8-17(27)2-3-19(20)31(24(30)34)18-4-5-29(12-18)25(35)37-22-15-6-14-7-16(22)11-26(9-14,10-15)23(28)33/h2-3,8,14-16,18,22H,4-7,9-13H2,1H3,(H2,28,33)/t14?,15?,16?,18-,22-,26-/m0/s1 | PDB
MMDB
Reactome pathway
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Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186096
(US9163012, 14)Show SMILES CCOC(=O)C1(Cc2ccccc2OC)CCCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:22:23:25:27.28.29,THB:23:31:27:25.24.29,23:24:27:31.30.32,30:31:25:27.28.29,30:28:25:31.32.23,(-4.48,-10.7,;-2.94,-10.7,;-2.17,-9.36,;-.63,-9.36,;.14,-10.7,;.14,-8.03,;-1.4,-8.03,;-2.17,-6.7,;-3.71,-6.7,;-4.48,-5.36,;-3.71,-4.03,;-2.17,-4.03,;-1.4,-5.36,;.14,-5.36,;.91,-4.03,;.14,-6.49,;1.47,-5.72,;2.81,-6.49,;2.81,-8.03,;1.47,-8.8,;4.14,-8.8,;4.14,-10.34,;5.47,-8.03,;6.81,-8.8,;8.14,-8.03,;9.47,-8.8,;9.47,-10.34,;10.3,-12.24,;8.91,-11.6,;8.89,-9.2,;7.7,-12.27,;6.81,-10.34,;8.14,-11.11,)| Show InChI InChI=1S/C27H37NO5/c1-3-32-25(29)27(16-20-7-4-5-8-23(20)31-2)9-6-10-28(17-27)26(30)33-24-21-12-18-11-19(14-21)15-22(24)13-18/h4-5,7-8,18-19,21-22,24H,3,6,9-17H2,1-2H3 | PDB
MMDB
Reactome pathway
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Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186115
(US9163012, 33)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCCC1c1nc4ccccc4s1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:7:29:4.5.28,6:5:29:7.9.8,THB:9:7:4:29.27.28,9:27:4:7.6.8,10:9:29:4.5.28,(-7.09,.1,;-5.75,-.67,;-5.75,-2.21,;-4.42,.1,;-5.25,-1.8,;-3.86,-1.16,;-2.65,-1.82,;-1.76,.1,;-3.09,-.67,;-1.76,1.64,;-.42,2.41,;.91,1.64,;.91,.1,;2.24,2.41,;2.24,3.95,;3.71,4.43,;4.61,3.18,;3.71,1.94,;4.48,.6,;3.57,-.64,;4.48,-1.89,;4.16,-3.4,;5.3,-4.43,;6.77,-3.95,;7.09,-2.44,;5.94,-1.41,;5.94,.13,;-3.09,2.41,;-3.84,1.24,;-4.42,1.64,)| Show InChI InChI=1S/C23H27N3O3S/c24-21(27)23-10-13-8-14(11-23)19(15(9-13)12-23)29-22(28)26-7-3-5-17(26)20-25-16-4-1-2-6-18(16)30-20/h1-2,4,6,13-15,17,19H,3,5,7-12H2,(H2,24,27)/t13?,14?,15?,17?,19-,23- | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 7.46 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186112
(US9163012, 30)Show SMILES OCC1(CCN(CC1)C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:11:13:15.16.17,THB:11:19:15:13.12.17,11:12:15:19.18.20,18:19:13:15.16.17,18:16:13:19.11.20,(-5.39,3.55,;-3.85,3.55,;-3.08,2.22,;-1.75,2.99,;-.41,2.22,;-.41,.68,;-1.75,-.09,;-3.08,.68,;.92,-.09,;.92,-1.63,;2.25,.68,;3.59,-.09,;4.92,.68,;6.25,-.09,;6.25,-1.63,;7.08,-3.53,;5.69,-2.89,;5.67,-.49,;4.48,-3.55,;3.59,-1.63,;4.92,-2.4,;-4.42,1.45,;-5.75,2.22,;-7.08,1.45,;-7.08,-.09,;-5.75,-.86,;-4.42,-.09,)| Show InChI InChI=1S/C23H31NO3/c25-15-23(20-4-2-1-3-5-20)6-8-24(9-7-23)22(26)27-21-18-11-16-10-17(13-18)14-19(21)12-16/h1-5,16-19,21,25H,6-15H2 | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 13.2 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186128
(US9163012, 45)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCCC1c1ncc(Cl)cn1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:10:9:27:4.5.26,9:7:4:27.25.26,9:25:4:7.6.8,(-6.54,-.1,;-5.21,-.87,;-5.21,-2.41,;-3.87,-.1,;-4.71,-2.01,;-3.31,-1.36,;-2.11,-2.03,;-1.21,-.1,;-2.54,-.88,;-1.21,1.44,;.12,2.21,;1.46,1.44,;1.46,-.1,;2.79,2.21,;2.79,3.75,;4.25,4.22,;5.16,2.98,;4.25,1.73,;4.65,.24,;3.56,-.85,;3.96,-2.33,;5.45,-2.73,;5.85,-4.22,;6.54,-1.64,;6.14,-.16,;-2.54,2.2,;-3.29,1.04,;-3.87,1.44,)| Show InChI InChI=1S/C20H25ClN4O3/c21-14-9-23-17(24-10-14)15-2-1-3-25(15)19(27)28-16-12-4-11-5-13(16)8-20(6-11,7-12)18(22)26/h9-13,15-16H,1-8H2,(H2,22,26)/t11?,12?,13?,15?,16-,20- | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 13.5 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186120
(US9163012, 37, Isomer 1 | US9163012, 37, Isomer 2)Show SMILES Cc1ccc(nn1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,.69,;5.08,.69,;4.31,2.03,;5.08,3.36,;6.62,3.36,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C21H28N4O3/c1-12-2-3-17(24-23-12)14-4-5-25(11-14)20(27)28-18-15-6-13-7-16(18)10-21(8-13,9-15)19(22)26/h2-3,13-16,18H,4-11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 16.3 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186157
(US9163012, 74, Isomer 1 | US9163012, 74, Isomer 2)Show SMILES Cc1nc2cc(F)ccc2n1[C@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:19.21,wD:26.34,11.12,TLB:19:20:27:25.24.23,18:19:25:27.22.23,THB:19:24:27:20.21.28,21:20:25:27.22.23,21:22:25:20.19.28,(5.73,-8.99,;6.5,-10.32,;7.96,-10.8,;7.96,-12.34,;9.11,-13.37,;8.79,-14.88,;9.88,-15.97,;7.32,-15.35,;6.18,-14.32,;6.5,-12.82,;5.59,-11.57,;4.05,-11.57,;3.15,-10.32,;1.68,-10.8,;1.68,-12.34,;3.15,-12.82,;.35,-13.11,;.35,-14.65,;-.98,-12.34,;-2.32,-13.11,;-2.32,-14.65,;-3.21,-16.57,;-4.42,-15.91,;-4.4,-13.5,;-3.65,-12.34,;-4.98,-13.11,;-4.98,-14.65,;-5.81,-16.55,;-3.65,-15.42,;-6.31,-15.42,;-7.65,-14.65,;-6.31,-16.96,)| Show InChI InChI=1S/C24H29FN4O3/c1-13-27-19-8-17(25)2-3-20(19)29(13)18-4-5-28(12-18)23(31)32-21-15-6-14-7-16(21)11-24(9-14,10-15)22(26)30/h2-3,8,14-16,18,21H,4-7,9-12H2,1H3,(H2,26,30)/t14?,15?,16?,18-,21-,24-/m0/s1 | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 16.6 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186105
(US9163012, 23)Show SMILES Cc1noc(n1)C1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.15,wD:21.28,TLB:14:15:22:20.19.18,13:14:20:22.17.18,THB:14:19:22:15.16.23,16:15:20:22.17.18,16:17:20:15.14.23,(8.51,2.44,;7.17,1.67,;6.7,.21,;5.16,.21,;4.68,1.67,;5.93,2.58,;3.19,2.07,;2.29,3.32,;.82,2.84,;.82,1.3,;2.29,.83,;-.51,.53,;-.51,-1.01,;-1.84,1.3,;-3.18,.53,;-3.18,-1.01,;-4.07,-2.93,;-5.28,-2.27,;-5.26,.14,;-4.51,1.3,;-5.84,.53,;-5.84,-1.01,;-6.67,-2.91,;-4.51,-1.78,;-7.17,-1.78,;-8.51,-1.01,;-7.17,-3.32,)| Show InChI InChI=1S/C19H26N4O4/c1-10-21-16(27-22-10)12-2-3-23(9-12)18(25)26-15-13-4-11-5-14(15)8-19(6-11,7-13)17(20)24/h11-15H,2-9H2,1H3,(H2,20,24)/t11?,12?,13?,14?,15-,19- | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 17.6 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186103
(US9163012, 21)Show SMILES OC12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ccncc1)C(C3)C2 |TLB:4:5:24:2.3.23,4:3:24:5.7.6,THB:7:5:2:24.22.23,7:22:2:5.4.6,8:7:24:2.3.23,(-7.49,-1.6,;-6,-1.2,;-6.84,-3.1,;-5.44,-2.46,;-4.24,-3.13,;-3.34,-1.2,;-4.67,-1.97,;-3.34,.34,;-2.01,1.11,;-.67,.34,;-.67,-1.2,;.66,1.11,;.66,2.65,;2.12,3.13,;3.03,1.88,;2.12,.63,;4.52,1.48,;4.91,-.01,;6.4,-.4,;7.49,.68,;7.09,2.17,;5.61,2.57,;-4.67,1.11,;-5.43,-.06,;-6,.34,)| Show InChI InChI=1S/C20H26N2O3/c23-19(22-6-3-15(12-22)14-1-4-21-5-2-14)25-18-16-7-13-8-17(18)11-20(24,9-13)10-16/h1-2,4-5,13,15-18,24H,3,6-12H2 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
Similars
| US Patent
| n/a | n/a | 20.8 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186100
(US9163012, 18)Show SMILES OC(=O)c1ccc(cc1)C1CCCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:17:18:20:22.23.24,THB:18:26:22:20.19.24,18:19:22:26.25.27,25:26:20:22.23.24,25:23:20:26.18.27,(-8.42,-1.15,;-7.08,-1.92,;-7.08,-3.46,;-5.75,-1.15,;-5.75,.39,;-4.42,1.15,;-3.08,.39,;-3.08,-1.15,;-4.42,-1.92,;-1.75,1.16,;-1.75,2.7,;-.42,3.46,;.92,2.7,;.92,1.16,;-.42,.39,;2.25,.39,;2.25,-1.15,;3.59,1.16,;4.92,.39,;6.25,1.16,;7.58,.39,;7.58,-1.15,;8.42,-3.05,;7.02,-2.41,;7,-.01,;5.82,-3.08,;4.92,-1.15,;6.25,-1.92,)| Show InChI InChI=1S/C23H29NO4/c25-22(26)17-5-3-16(4-6-17)18-2-1-7-24(13-18)23(27)28-21-19-9-14-8-15(11-19)12-20(21)10-14/h3-6,14-15,18-21H,1-2,7-13H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 27.8 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186148
(US9163012, 65)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4cc(ccc4[nH]c1=O)C#N)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:32:4.5.31,6:5:32:7.9.8,THB:9:7:4:32.30.31,9:30:4:7.6.8,10:9:32:4.5.31,(-8.38,-.99,;-7.04,-1.76,;-7.04,-3.3,;-5.71,-.99,;-6.54,-2.89,;-5.15,-2.25,;-3.94,-2.92,;-3.05,-.99,;-4.38,-1.76,;-3.05,.55,;-1.71,1.32,;-.38,.55,;-.38,-.99,;.95,1.32,;.95,2.86,;2.42,3.33,;3.32,2.09,;2.42,.84,;4.86,2.09,;5.77,.84,;5.45,-.66,;6.59,-1.69,;8.06,-1.22,;8.38,.29,;7.23,1.32,;7.23,2.86,;5.77,3.33,;5,4.67,;6.19,-3.18,;5.8,-4.67,;-4.38,1.32,;-5.13,.15,;-5.71,.55,)| | 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 | 33.1 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186141
(US9163012, 58, Isomer 1 | US9163012, 58, Isomer 2)Show SMILES Cn1cc(ccc1=O)-c1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:22:23:30:28.27.26,21:22:28:30.25.26,THB:22:27:30:23.24.31,24:23:28:30.25.26,24:25:28:23.22.31,(9.7,-.64,;8.93,.69,;7.39,.69,;6.62,2.03,;7.39,3.36,;8.93,3.36,;9.7,2.03,;11.24,2.03,;5.08,2.03,;4.31,.69,;2.77,.69,;2,2.03,;2.77,3.36,;4.31,3.36,;.46,2.03,;-.45,3.27,;-1.91,2.8,;-1.91,1.26,;-.45,.78,;-3.24,.49,;-3.24,-1.05,;-4.58,1.26,;-5.91,.49,;-5.91,-1.05,;-6.81,-2.98,;-8.01,-2.31,;-7.99,.09,;-7.24,1.26,;-8.57,.49,;-8.57,-1.05,;-9.41,-2.95,;-7.24,-1.82,;-9.91,-1.82,;-11.24,-1.05,;-9.91,-3.36,)| Show InChI InChI=1S/C26H31N5O4/c1-30-13-16(2-3-21(30)32)20-11-28-23(29-12-20)17-4-5-31(14-17)25(34)35-22-18-6-15-7-19(22)10-26(8-15,9-18)24(27)33/h2-3,11-13,15,17-19,22H,4-10,14H2,1H3,(H2,27,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 33.3 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186107
(US9163012, 25)Show SMILES Cc1nnc(o1)C1CCCN(C1)C(=O)OC1C2CC3CC1CC(O)(C3)C2 |TLB:15:16:24:21.20.19,14:15:21:24.18.19,THB:15:20:24:16.17.25,17:16:21:24.18.19,17:18:21:16.15.25,(7.91,.96,;6.58,.19,;6.1,-1.27,;4.56,-1.27,;4.09,.19,;5.33,1.1,;2.75,.96,;2.75,2.5,;1.42,3.27,;.08,2.5,;.08,.96,;1.42,.19,;-1.25,.19,;-1.25,-1.35,;-2.58,.96,;-3.92,.19,;-3.92,-1.35,;-4.81,-3.27,;-6.02,-2.6,;-6,-.2,;-5.24,.96,;-6.58,.19,;-6.58,-1.35,;-7.91,-2.12,;-7.41,-3.25,;-5.24,-2.12,)| Show InChI InChI=1S/C19H27N3O4/c1-11-20-21-17(25-11)13-3-2-4-22(10-13)18(23)26-16-14-5-12-6-15(16)9-19(24,7-12)8-14/h12-16,24H,2-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 39.5 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186098
(US9163012, 16)Show SMILES OC(=O)COCC1(CCN(CC1)C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:14:15:17:19.20.21,THB:15:23:19:17.16.21,15:16:19:23.22.24,22:23:17:19.20.21,22:20:17:23.15.24,(-7.78,4.89,;-7.01,3.55,;-7.78,2.22,;-5.47,3.55,;-4.7,2.22,;-3.16,2.22,;-2.39,.89,;-1.05,1.66,;.28,.89,;.28,-.65,;-1.05,-1.42,;-2.39,-.65,;1.61,-1.42,;1.62,-2.96,;2.95,-.65,;4.28,-1.42,;5.61,-.65,;6.94,-1.42,;6.94,-2.96,;7.78,-4.86,;6.38,-4.22,;6.37,-1.82,;5.18,-4.89,;4.28,-2.96,;5.61,-3.73,;-3.72,.12,;-5.06,.89,;-6.39,.12,;-6.39,-1.42,;-5.06,-2.19,;-3.72,-1.42,)| Show InChI InChI=1S/C25H33NO5/c27-22(28)15-30-16-25(21-4-2-1-3-5-21)6-8-26(9-7-25)24(29)31-23-19-11-17-10-18(13-19)14-20(23)12-17/h1-5,17-20,23H,6-16H2,(H,27,28) | 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 | 43.8 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186124
(US9163012, 41, Isomer 1 | US9163012, 41, Isomer 2)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(F)cn1)C(C3)C2 |TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:9:7:4:27.25.26,9:25:4:7.6.8,10:9:27:4.5.26,(-8.93,-1.05,;-7.6,-1.82,;-7.6,-3.36,;-6.26,-1.05,;-7.1,-2.95,;-5.7,-2.31,;-4.5,-2.98,;-3.6,-1.05,;-4.93,-1.82,;-3.6,.49,;-2.27,1.26,;-.93,.49,;-.93,-1.05,;.4,1.26,;.4,2.8,;1.86,3.27,;2.77,2.03,;1.86,.78,;4.31,2.03,;5.08,3.36,;6.62,3.36,;7.39,2.03,;8.93,2.03,;6.62,.69,;5.08,.69,;-4.93,1.26,;-5.68,.09,;-6.26,.49,)| Show InChI InChI=1S/C20H25FN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26) | 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 | 48.8 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186140
(US9163012, 57, Isomer 1)Show SMILES COC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(cn1)-c1ccn(C)c(=O)c1)C(C3)C2 |TLB:7:8:35:5.6.34,7:6:35:8.10.9,THB:10:8:5:35.33.34,10:33:5:8.7.9,11:10:35:5.6.34| Show InChI InChI=1S/C27H32N4O5/c1-30-5-3-17(9-22(30)32)21-13-28-24(29-14-21)18-4-6-31(15-18)26(34)36-23-19-7-16-8-20(23)12-27(10-16,11-19)25(33)35-2/h3,5,9,13-14,16,18-20,23H,4,6-8,10-12,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50.5 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186119
(US9163012, 36, Isomer 1 | US9163012, 36, Isomer 2)Show SMILES Cc1ncc(cn1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,.69,;5.08,.69,;4.31,2.03,;5.08,3.36,;6.62,3.36,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C21H28N4O3/c1-12-23-9-17(10-24-12)14-2-3-25(11-14)20(27)28-18-15-4-13-5-16(18)8-21(6-13,7-15)19(22)26/h9-10,13-16,18H,2-8,11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 83.7 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186130
(US9163012, 47, Isomer 1 | US9163012, 47, Isomer 2)Show SMILES NC(=O)c1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:16:17:23:25.20.21,17:18:25:23.22.21,THB:17:22:25:18.19.26,19:18:23:25.20.21,19:20:23:18.17.26,(9.32,3.36,;8.55,2.03,;9.32,.69,;7.01,2.03,;6.24,3.36,;4.7,3.36,;3.93,2.03,;4.7,.69,;6.24,.69,;2.39,2.03,;1.48,3.27,;.02,2.8,;.02,1.26,;1.48,.78,;-1.32,.49,;-1.32,-1.05,;-2.65,1.26,;-3.99,.49,;-3.99,-1.05,;-4.88,-2.98,;-6.09,-2.31,;-6.07,.09,;-5.31,1.26,;-6.65,.49,;-6.65,-1.05,;-7.48,-2.95,;-5.31,-1.82,;-7.98,-1.82,;-9.32,-1.05,;-7.98,-3.36,)| Show InChI InChI=1S/C21H27N5O4/c22-17(27)15-8-24-18(25-9-15)12-1-2-26(10-12)20(29)30-16-13-3-11-4-14(16)7-21(5-11,6-13)19(23)28/h8-9,11-14,16H,1-7,10H2,(H2,22,27)(H2,23,28) | 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 | 91.6 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186113
(US9163012, 31)Show SMILES Cn1c(nc2ccccc12)C1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:18.20,wD:25.33,TLB:18:19:26:24.23.22,17:18:24:26.21.22,THB:18:23:26:19.20.27,20:19:24:26.21.22,20:21:24:19.18.27,(4.48,3.43,;5.25,2.1,;4,1.19,;4.48,-.27,;6.02,-.27,;7.05,-1.42,;8.56,-1.1,;9.03,.37,;8,1.51,;6.49,1.19,;2.67,1.96,;1.76,3.21,;.3,2.73,;.3,1.19,;1.76,.71,;-1.03,.42,;-1.03,-1.12,;-2.37,1.19,;-3.7,.42,;-3.7,-1.12,;-4.6,-3.04,;-5.8,-2.38,;-5.79,.02,;-5.03,1.19,;-6.36,.42,;-6.36,-1.12,;-7.2,-3.02,;-5.03,-1.89,;-7.7,-1.89,;-9.03,-1.12,;-7.7,-3.43,)| Show InChI InChI=1S/C24H30N4O3/c1-27-19-5-3-2-4-18(19)26-21(27)15-6-7-28(13-15)23(30)31-20-16-8-14-9-17(20)12-24(10-14,11-16)22(25)29/h2-5,14-17,20H,6-13H2,1H3,(H2,25,29)/t14?,15?,16?,17?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 91.7 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186163
(US9163012, 26, Isomer 1a | US9163012, 26, Isomer 1...)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:9:7:4:27.25.26,9:25:4:7.6.8,10:9:27:4.5.26,(-8.83,-1.01,;-7.49,-1.78,;-7.49,-3.32,;-6.16,-1.01,;-6.99,-2.91,;-5.6,-2.27,;-4.39,-2.93,;-3.5,-1.01,;-4.82,-1.78,;-3.5,.53,;-2.16,1.3,;-.83,.53,;-.83,-1.01,;.51,1.3,;.51,2.84,;1.97,3.32,;2.87,2.07,;1.97,.83,;4.36,1.67,;4.76,.19,;6.25,-.21,;7.34,.88,;8.83,.48,;6.94,2.36,;5.45,2.76,;-4.82,1.3,;-5.58,.14,;-6.16,.53,)| Show InChI InChI=1S/C20H25ClN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186119
(US9163012, 36, Isomer 1 | US9163012, 36, Isomer 2)Show SMILES Cc1ncc(cn1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,.69,;5.08,.69,;4.31,2.03,;5.08,3.36,;6.62,3.36,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C21H28N4O3/c1-12-23-9-17(10-24-12)14-2-3-25(11-14)20(27)28-18-15-4-13-5-16(18)8-21(6-13,7-15)19(22)26/h9-10,13-16,18H,2-8,11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186127
(US9163012, 44, Isomer 1 | US9163012, 44, Isomer 2)Show SMILES COc1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:22:24.19.20,16:17:24:22.21.20,THB:16:21:24:17.18.25,18:17:22:24.19.20,18:19:22:17.16.25,(9.31,3.36,;8.54,2.03,;7,2.03,;6.23,3.36,;4.69,3.36,;3.92,2.03,;4.69,.69,;6.23,.69,;2.38,2.03,;1.48,3.27,;.02,2.8,;.02,1.26,;1.48,.78,;-1.32,.49,;-1.32,-1.05,;-2.65,1.26,;-3.99,.49,;-3.99,-1.05,;-4.88,-2.98,;-6.09,-2.31,;-6.07,.09,;-5.31,1.26,;-6.65,.49,;-6.65,-1.05,;-7.48,-2.95,;-5.31,-1.82,;-7.98,-1.82,;-9.31,-1.05,;-7.98,-3.36,)| Show InChI InChI=1S/C21H28N4O4/c1-28-16-9-23-18(24-10-16)13-2-3-25(11-13)20(27)29-17-14-4-12-5-15(17)8-21(6-12,7-14)19(22)26/h9-10,12-15,17H,2-8,11H2,1H3,(H2,22,26) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186126
(US9163012, 43, Isomer 1 | US9163012, 43, Isomer 2)Show SMILES Cc1cc(C)nc(n1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:22:24.19.20,16:17:24:22.21.20,THB:16:21:24:17.18.25,18:17:22:24.19.20,18:19:22:17.16.25,(8.43,3.39,;7.34,2.3,;7.74,.81,;6.65,-.28,;7.05,-1.77,;5.16,.12,;4.76,1.61,;5.85,2.7,;3.27,2,;2.37,3.25,;.9,2.77,;.9,1.23,;2.37,.76,;-.43,.46,;-.43,-1.08,;-1.76,1.23,;-3.1,.46,;-3.1,-1.08,;-3.99,-3,;-5.2,-2.33,;-5.18,.07,;-4.43,1.23,;-5.76,.46,;-5.76,-1.08,;-6.59,-2.98,;-4.43,-1.85,;-7.09,-1.85,;-8.43,-1.08,;-7.09,-3.39,)| Show InChI InChI=1S/C22H30N4O3/c1-12-5-13(2)25-19(24-12)15-3-4-26(11-15)21(28)29-18-16-6-14-7-17(18)10-22(8-14,9-16)20(23)27/h5,14-18H,3-4,6-11H2,1-2H3,(H2,23,27) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186120
(US9163012, 37, Isomer 1 | US9163012, 37, Isomer 2)Show SMILES Cc1ccc(nn1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,.69,;5.08,.69,;4.31,2.03,;5.08,3.36,;6.62,3.36,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C21H28N4O3/c1-12-2-3-17(24-23-12)14-4-5-25(11-14)20(27)28-18-15-6-13-7-16(18)10-21(8-13,9-15)19(22)26/h2-3,13-16,18H,4-11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186129
(US9163012, 46, Isomer 1 | US9163012, 46, Isomer 2)Show SMILES OC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:10:9:27:4.5.26,9:7:4:27.25.26,9:25:4:7.6.8,(-8.83,-1.01,;-7.49,-1.78,;-7.49,-3.32,;-6.16,-1.01,;-6.99,-2.91,;-5.6,-2.27,;-4.39,-2.93,;-3.5,-1.01,;-4.82,-1.78,;-3.5,.53,;-2.16,1.3,;-.83,.53,;-.83,-1.01,;.51,1.3,;.51,2.84,;1.97,3.32,;2.87,2.07,;1.97,.83,;4.36,1.67,;5.45,2.76,;6.94,2.36,;7.34,.88,;8.83,.48,;6.25,-.21,;4.76,.19,;-4.82,1.3,;-5.58,.14,;-6.16,.53,)| Show InChI InChI=1S/C20H24ClN3O4/c21-15-8-22-17(23-9-15)12-1-2-24(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(25)26/h8-9,11-14,16H,1-7,10H2,(H,25,26) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186102
(US9163012, 20)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCCC1c1nnc(o1)-c1ccc(Cl)cc1)C(C3)C2 |TLB:6:7:32:4.5.31,6:5:32:7.9.8,THB:9:7:4:32.30.31,9:30:4:7.6.8,10:9:32:4.5.31,(-8.16,1.03,;-6.83,.26,;-6.83,-1.28,;-5.49,1.03,;-6.33,-.87,;-4.93,-.23,;-3.73,-.9,;-2.83,1.03,;-4.16,.26,;-2.83,2.57,;-1.5,3.34,;-.16,2.57,;-.16,1.03,;1.17,3.34,;1.17,4.88,;2.64,5.35,;3.54,4.11,;2.64,2.86,;3.03,1.37,;1.79,.47,;2.26,-1,;3.8,-1,;4.28,.47,;4.89,-2.09,;4.49,-3.57,;5.58,-4.66,;7.07,-4.26,;8.16,-5.35,;7.47,-2.78,;6.38,-1.69,;-4.16,3.33,;-4.91,2.17,;-5.49,2.57,)| Show InChI InChI=1S/C24H27ClN4O4/c25-17-5-3-14(4-6-17)20-27-28-21(33-20)18-2-1-7-29(18)23(31)32-19-15-8-13-9-16(19)12-24(10-13,11-15)22(26)30/h3-6,13,15-16,18-19H,1-2,7-12H2,(H2,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186141
(US9163012, 58, Isomer 1 | US9163012, 58, Isomer 2)Show SMILES Cn1cc(ccc1=O)-c1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:22:23:30:28.27.26,21:22:28:30.25.26,THB:22:27:30:23.24.31,24:23:28:30.25.26,24:25:28:23.22.31,(9.7,-.64,;8.93,.69,;7.39,.69,;6.62,2.03,;7.39,3.36,;8.93,3.36,;9.7,2.03,;11.24,2.03,;5.08,2.03,;4.31,.69,;2.77,.69,;2,2.03,;2.77,3.36,;4.31,3.36,;.46,2.03,;-.45,3.27,;-1.91,2.8,;-1.91,1.26,;-.45,.78,;-3.24,.49,;-3.24,-1.05,;-4.58,1.26,;-5.91,.49,;-5.91,-1.05,;-6.81,-2.98,;-8.01,-2.31,;-7.99,.09,;-7.24,1.26,;-8.57,.49,;-8.57,-1.05,;-9.41,-2.95,;-7.24,-1.82,;-9.91,-1.82,;-11.24,-1.05,;-9.91,-3.36,)| Show InChI InChI=1S/C26H31N5O4/c1-30-13-16(2-3-21(30)32)20-11-28-23(29-12-20)17-4-5-31(14-17)25(34)35-22-18-6-15-7-19(22)10-26(8-15,9-18)24(27)33/h2-3,11-13,15,17-19,22H,4-10,14H2,1H3,(H2,27,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186129
(US9163012, 46, Isomer 1 | US9163012, 46, Isomer 2)Show SMILES OC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:10:9:27:4.5.26,9:7:4:27.25.26,9:25:4:7.6.8,(-8.83,-1.01,;-7.49,-1.78,;-7.49,-3.32,;-6.16,-1.01,;-6.99,-2.91,;-5.6,-2.27,;-4.39,-2.93,;-3.5,-1.01,;-4.82,-1.78,;-3.5,.53,;-2.16,1.3,;-.83,.53,;-.83,-1.01,;.51,1.3,;.51,2.84,;1.97,3.32,;2.87,2.07,;1.97,.83,;4.36,1.67,;5.45,2.76,;6.94,2.36,;7.34,.88,;8.83,.48,;6.25,-.21,;4.76,.19,;-4.82,1.3,;-5.58,.14,;-6.16,.53,)| Show InChI InChI=1S/C20H24ClN3O4/c21-15-8-22-17(23-9-15)12-1-2-24(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(25)26/h8-9,11-14,16H,1-7,10H2,(H,25,26) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186123
(US9163012, 40, Isomer 1 | US9163012, 40, Isomer 2)Show SMILES Cc1cc(nn1C)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:19:18:24:20.15.21,19:20:24:18.17.23,THB:14:15:24:18.17.23,23:18:15:24.22.21,23:22:15:18.17.19,(8.47,3.47,;7.14,2.69,;5.67,3.17,;4.77,1.93,;5.67,.68,;7.14,1.15,;8.47,.38,;3.23,1.93,;2.32,3.17,;.86,2.69,;.86,1.15,;2.32,.68,;-.48,.38,;-.48,-1.15,;-1.81,1.15,;-3.14,.38,;-4.47,1.15,;-5.23,-.01,;-5.24,-2.41,;-4.04,-3.08,;-3.14,-1.15,;-4.47,-1.93,;-5.8,-1.15,;-6.64,-3.06,;-5.8,.38,;-7.14,-1.93,;-8.47,-1.15,;-7.14,-3.47,)| Show InChI InChI=1S/C21H30N4O3/c1-12-5-17(23-24(12)2)14-3-4-25(11-14)20(27)28-18-15-6-13-7-16(18)10-21(8-13,9-15)19(22)26/h5,13-16,18H,3-4,6-11H2,1-2H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186106
(US9163012, 24, Isomer 1 | US9163012, 24, Isomer 2)Show SMILES OC12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |TLB:4:5:25:2.3.24,4:3:25:5.7.6,THB:7:5:2:25.23.24,7:23:2:5.4.6,8:7:25:2.3.24,(-8.16,-1.97,;-6.82,-1.2,;-7.66,-3.1,;-6.26,-2.46,;-5.06,-3.13,;-4.16,-1.2,;-5.49,-1.97,;-4.16,.34,;-2.83,1.11,;-1.5,.34,;-1.5,-1.2,;-.16,1.11,;-.16,2.65,;1.3,3.13,;2.21,1.88,;1.3,.63,;3.7,1.48,;4.09,-.01,;5.58,-.4,;6.67,.68,;8.16,.29,;6.27,2.17,;4.78,2.57,;-5.49,1.11,;-6.25,-.06,;-6.82,.34,)| Show InChI InChI=1S/C19H24ClN3O3/c20-15-8-21-17(22-9-15)12-1-2-23(10-12)18(24)26-16-13-3-11-4-14(16)7-19(25,5-11)6-13/h8-9,11-14,16,25H,1-7,10H2 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186121
(US9163012, 38, Isomer 1 | US9163012, 38, Isomer 2)Show SMILES Cc1ccnc(n1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.43,3.39,;7.34,2.3,;7.74,.81,;6.65,-.28,;5.16,.12,;4.76,1.61,;5.85,2.69,;3.27,2,;2.37,3.25,;.9,2.77,;.9,1.23,;2.37,.76,;-.43,.46,;-.43,-1.08,;-1.76,1.23,;-3.1,.46,;-3.1,-1.08,;-3.99,-3,;-5.2,-2.33,;-5.18,.07,;-4.43,1.23,;-5.76,.46,;-5.76,-1.08,;-6.59,-2.98,;-4.43,-1.85,;-7.09,-1.85,;-8.43,-1.08,;-7.09,-3.39,)| Show InChI InChI=1S/C21H28N4O3/c1-12-2-4-23-18(24-12)14-3-5-25(11-14)20(27)28-17-15-6-13-7-16(17)10-21(8-13,9-15)19(22)26/h2,4,13-17H,3,5-11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
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| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186122
(US9163012, 39, Isomer 1 | US9163012, 39, Isomer 2)Show SMILES Cc1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,3.36,;5.08,3.36,;4.31,2.03,;5.08,.69,;6.62,.69,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C21H28N4O3/c1-12-9-23-18(24-10-12)14-2-3-25(11-14)20(27)28-17-15-4-13-5-16(17)8-21(6-13,7-15)19(22)26/h9-10,13-17H,2-8,11H2,1H3,(H2,22,26) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186131
(US9163012, 48, Isomer 1 | US9163012, 48, Isomer 2)Show SMILES NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1nccc(n1)C(F)(F)F)C(C3)C2 |TLB:29:28:8:5.6.4,THB:4:5:9:8.3.30,4:3:9:5.6.29,29:5:8:28.9.30,10:9:8:5.6.4,(-8.83,-2.39,;-7.49,-3.16,;-7.49,-4.7,;-6.16,-2.39,;-6.99,-4.29,;-5.6,-3.64,;-5.58,-1.24,;-4.83,-.08,;-6.16,-.85,;-3.5,-.85,;-2.16,-.08,;-.83,-.85,;-.83,-2.39,;.5,-.08,;.5,1.46,;1.97,1.94,;2.87,.69,;1.97,-.55,;4.41,.69,;5.18,-.64,;6.72,-.64,;7.49,.69,;6.72,2.03,;5.18,2.03,;7.49,3.36,;8.26,4.7,;6.16,4.13,;8.83,2.59,;-3.5,-2.39,;-4.39,-4.31,;-4.83,-3.16,)| Show InChI InChI=1S/C21H25F3N4O3/c22-21(23,24)15-1-3-26-17(27-15)12-2-4-28(10-12)19(30)31-16-13-5-11-6-14(16)9-20(7-11,8-13)18(25)29/h1,3,11-14,16H,2,4-10H2,(H2,25,29) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186130
(US9163012, 47, Isomer 1 | US9163012, 47, Isomer 2)Show SMILES NC(=O)c1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:16:17:23:25.20.21,17:18:25:23.22.21,THB:17:22:25:18.19.26,19:18:23:25.20.21,19:20:23:18.17.26,(9.32,3.36,;8.55,2.03,;9.32,.69,;7.01,2.03,;6.24,3.36,;4.7,3.36,;3.93,2.03,;4.7,.69,;6.24,.69,;2.39,2.03,;1.48,3.27,;.02,2.8,;.02,1.26,;1.48,.78,;-1.32,.49,;-1.32,-1.05,;-2.65,1.26,;-3.99,.49,;-3.99,-1.05,;-4.88,-2.98,;-6.09,-2.31,;-6.07,.09,;-5.31,1.26,;-6.65,.49,;-6.65,-1.05,;-7.48,-2.95,;-5.31,-1.82,;-7.98,-1.82,;-9.32,-1.05,;-7.98,-3.36,)| Show InChI InChI=1S/C21H27N5O4/c22-17(27)15-8-24-18(25-9-15)12-1-2-26(10-12)20(29)30-16-13-3-11-4-14(16)7-21(5-11,6-13)19(23)28/h8-9,11-14,16H,1-7,10H2,(H2,22,27)(H2,23,28) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
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| PC cid
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UniChem
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| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186104
(US9163012, 22)Show SMILES OC12CC3CC(C1)C(OC(=O)N1CCC(C1)c1cc[n+]([O-])cc1)C(C3)C2 |TLB:4:5:25:2.3.24,4:3:25:5.7.6,THB:7:5:2:25.23.24,7:23:2:5.4.6,8:7:25:2.3.24,(-8.23,-1.6,;-6.75,-1.2,;-7.58,-3.1,;-6.19,-2.46,;-4.98,-3.13,;-4.09,-1.2,;-5.41,-1.97,;-4.09,.34,;-2.75,1.11,;-1.42,.34,;-1.42,-1.2,;-.08,1.11,;-.08,2.65,;1.38,3.13,;2.28,1.88,;1.38,.63,;3.77,1.48,;4.17,-.01,;5.66,-.4,;6.75,.68,;8.23,.29,;6.35,2.17,;4.86,2.57,;-5.41,1.11,;-6.17,-.06,;-6.75,.34,)| Show InChI InChI=1S/C20H26N2O4/c23-19(21-4-1-15(12-21)14-2-5-22(25)6-3-14)26-18-16-7-13-8-17(18)11-20(24,9-13)10-16/h2-3,5-6,13,15-18,24H,1,4,7-12H2 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186111
(US9163012, 29)Show SMILES Cn1c2cc(Cl)cnc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:18.19,10.10,wD:25.32,TLB:18:19:26:24.23.22,17:18:24:26.21.22,THB:18:23:26:19.20.27,20:19:24:26.21.22,20:21:24:19.18.27,(8.08,2.56,;6.75,1.79,;6.75,.25,;7.89,-.78,;7.57,-2.29,;8.66,-3.38,;6.1,-2.76,;4.96,-1.73,;5.28,-.23,;4.38,1.02,;3.04,1.79,;2.14,3.04,;.67,2.56,;.67,1.02,;2.14,.54,;-.66,.25,;-.66,-1.29,;-2,1.02,;-3.33,.25,;-3.33,-1.29,;-4.23,-3.22,;-5.43,-2.55,;-5.41,-.15,;-4.66,1.02,;-5.99,.25,;-5.99,-1.29,;-6.82,-3.19,;-4.66,-2.06,;-7.32,-2.06,;-8.66,-1.29,;-7.32,-3.6,;5.28,2.27,;4.51,3.6,)| Show InChI InChI=1S/C23H28ClN5O4/c1-27-17-6-15(24)10-26-19(17)29(21(27)31)16-2-3-28(11-16)22(32)33-18-13-4-12-5-14(18)9-23(7-12,8-13)20(25)30/h6,10,12-14,16,18H,2-5,7-9,11H2,1H3,(H2,25,30)/t12?,13?,14?,16-,18-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186118
(US9163012, 35, Isomer 1 | US9163012, 35, Isomer 2)Show SMILES Cc1ccc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:15:16:23:21.20.19,14:15:21:23.18.19,THB:15:20:23:16.17.24,17:16:21:23.18.19,17:18:21:16.15.24,(8.93,2.03,;7.39,2.03,;6.62,.69,;5.08,.69,;4.31,2.03,;5.08,3.36,;6.62,3.36,;2.77,2.03,;1.86,3.27,;.4,2.8,;.4,1.26,;1.86,.78,;-.93,.49,;-.93,-1.05,;-2.27,1.26,;-3.6,.49,;-3.6,-1.05,;-4.5,-2.98,;-5.7,-2.31,;-5.68,.09,;-4.93,1.26,;-6.26,.49,;-6.26,-1.05,;-7.1,-2.95,;-4.93,-1.82,;-7.6,-1.82,;-8.93,-1.05,;-7.6,-3.36,)| Show InChI InChI=1S/C22H29N3O3/c1-13-2-3-18(24-11-13)15-4-5-25(12-15)21(27)28-19-16-6-14-7-17(19)10-22(8-14,9-16)20(23)26/h2-3,11,14-17,19H,4-10,12H2,1H3,(H2,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186179
(US9163012, 57, Isomer 2)Show SMILES COC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ncc(cn1)-c1ccn(C)c(=O)c1)C(C3)C2 |TLB:7:8:35:5.6.34,7:6:35:8.10.9,THB:10:8:5:35.33.34,10:33:5:8.7.9,11:10:35:5.6.34| Show InChI InChI=1S/C27H32N4O5/c1-30-5-3-17(9-22(30)32)21-13-28-24(29-14-21)18-4-6-31(15-18)26(34)36-23-19-7-16-8-20(23)12-27(10-16,11-19)25(33)35-2/h3,5,9,13-14,16,18-20,23H,4,6-8,10-12,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186125
(US9163012, 42, Isomer 1 | US9163012, 42, Isomer 2)Show SMILES Cc1csc(n1)C1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:13:14:20:22.17.18,14:15:22:20.19.18,THB:14:19:22:15.16.23,16:15:20:22.17.18,16:17:20:15.14.23,(8.47,.53,;7.14,1.3,;7.14,2.84,;5.67,3.32,;4.77,2.07,;5.67,.83,;3.23,2.07,;2.32,3.32,;.86,2.84,;.86,1.3,;2.32,.83,;-.48,.53,;-.48,-1.01,;-1.81,1.3,;-3.14,.53,;-3.14,-1.01,;-4.04,-2.93,;-5.24,-2.27,;-5.23,.14,;-4.47,1.3,;-5.8,.53,;-5.8,-1.01,;-6.64,-2.91,;-4.47,-1.78,;-7.14,-1.78,;-8.47,-1.01,;-7.14,-3.32,)| Show InChI InChI=1S/C20H27N3O3S/c1-11-10-27-17(22-11)13-2-3-23(9-13)19(25)26-16-14-4-12-5-15(16)8-20(6-12,7-14)18(21)24/h10,12-16H,2-9H2,1H3,(H2,21,24) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | 25 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186161
(US9163012, 78, Isomer 1 | US9163012, 78, Isomer 2)Show SMILES O[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1ccc(cc1=O)C#N)C(C3)C2 |r,wU:7.8,14.17,wD:1.0,TLB:4:5:27:2.3.26,4:3:27:5.7.6,THB:7:5:2:27.25.26,7:25:2:5.4.6,8:7:27:2.3.26,(-9.03,3.87,;-7.7,3.1,;-8.53,1.2,;-7.14,1.85,;-5.93,1.18,;-5.04,3.1,;-6.37,2.33,;-5.04,4.64,;-3.7,5.41,;-2.37,4.64,;-2.37,3.1,;-1.04,5.41,;-1.04,6.95,;.43,7.43,;1.33,6.18,;.43,4.94,;2.87,6.18,;3.64,4.85,;5.18,4.85,;6.01,6.18,;5.18,7.52,;3.64,7.52,;2.87,8.85,;7.55,6.18,;9.09,6.18,;-6.37,5.41,;-7.12,4.25,;-7.7,4.64,)| Show InChI InChI=1S/C21H25N3O4/c22-11-13-1-4-24(18(25)7-13)17-2-3-23(12-17)20(26)28-19-15-5-14-6-16(19)10-21(27,8-14)9-15/h1,4,7,14-17,19,27H,2-3,5-6,8-10,12H2/t14?,15?,16?,17-,19-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | 6.0 | 37 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Vitro inhibition of 11.beta.-HSDl by test compounds, HTRF detecting cortisol generated from Koruchisuteron (cortisterone) by human liver microsomes (... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186183
(US9163012, 79)Show SMILES OC12CC3CC(C1)C(OC(=O)N1CC[C@H](C1)Oc1cc(ccn1)C#N)C(C3)C2 |r,wU:14.17,TLB:4:5:27:2.3.26,4:3:27:5.7.6,THB:7:5:2:27.25.26,7:25:2:5.4.6,8:7:27:2.3.26,(-9.03,3.87,;-7.7,3.1,;-8.53,1.2,;-7.14,1.85,;-5.93,1.18,;-5.04,3.1,;-6.37,2.33,;-5.04,4.64,;-3.7,5.41,;-2.37,4.64,;-2.37,3.1,;-1.04,5.41,;-1.04,6.95,;.43,7.43,;1.33,6.18,;.43,4.94,;2.87,6.18,;3.64,4.85,;5.18,4.85,;5.95,3.51,;5.18,2.18,;3.64,2.18,;2.87,3.51,;7.49,3.51,;8.26,4.85,;-6.37,5.41,;-7.12,4.25,;-7.7,4.64,)| Show InChI InChI=1S/C21H25N3O4/c22-11-13-1-3-23-18(7-13)27-17-2-4-24(12-17)20(25)28-19-15-5-14-6-16(19)10-21(26,8-14)9-15/h1,3,7,14-17,19,26H,2,4-6,8-10,12H2/t14?,15?,16?,17-,19?,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 6.0 | 37 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Vitro inhibition of 11.beta.-HSDl by test compounds, HTRF detecting cortisol generated from Koruchisuteron (cortisterone) by human liver microsomes (... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186160
(US9163012, 77)Show SMILES OC12CC3CC(C1)C(OC(=O)N1CC[C@H](C1)n1cc(ccc1=O)C#N)C(C3)C2 |r,wU:14.17,TLB:4:5:27:2.3.26,4:3:27:5.7.6,THB:7:5:2:27.25.26,7:25:2:5.4.6,8:7:27:2.3.26,(-7.88,-1.14,;-6.54,-1.91,;-7.38,-3.81,;-5.98,-3.17,;-4.78,-3.84,;-3.88,-1.91,;-5.21,-2.68,;-3.88,-.37,;-2.55,.4,;-1.22,-.37,;-1.22,-1.91,;.12,.4,;.12,1.94,;1.58,2.41,;2.49,1.17,;1.58,-.08,;4.03,1.17,;4.8,-.16,;6.42,-.24,;7.11,1.17,;6.34,2.5,;4.8,2.5,;4.03,3.84,;7.21,-1.56,;8,-2.89,;-5.21,.4,;-5.97,-.77,;-6.54,-.37,)| Show InChI InChI=1S/C21H25N3O4/c22-10-13-1-2-18(25)24(11-13)17-3-4-23(12-17)20(26)28-19-15-5-14-6-16(19)9-21(27,7-14)8-15/h1-2,11,14-17,19,27H,3-9,12H2/t14?,15?,16?,17-,19?,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 6.0 | 37 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Vitro inhibition of 11.beta.-HSDl by test compounds, HTRF detecting cortisol generated from Koruchisuteron (cortisterone) by human liver microsomes (... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM186161
(US9163012, 78, Isomer 1 | US9163012, 78, Isomer 2)Show SMILES O[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1ccc(cc1=O)C#N)C(C3)C2 |r,wU:7.8,14.17,wD:1.0,TLB:4:5:27:2.3.26,4:3:27:5.7.6,THB:7:5:2:27.25.26,7:25:2:5.4.6,8:7:27:2.3.26,(-9.03,3.87,;-7.7,3.1,;-8.53,1.2,;-7.14,1.85,;-5.93,1.18,;-5.04,3.1,;-6.37,2.33,;-5.04,4.64,;-3.7,5.41,;-2.37,4.64,;-2.37,3.1,;-1.04,5.41,;-1.04,6.95,;.43,7.43,;1.33,6.18,;.43,4.94,;2.87,6.18,;3.64,4.85,;5.18,4.85,;6.01,6.18,;5.18,7.52,;3.64,7.52,;2.87,8.85,;7.55,6.18,;9.09,6.18,;-6.37,5.41,;-7.12,4.25,;-7.7,4.64,)| Show InChI InChI=1S/C21H25N3O4/c22-11-13-1-4-24(18(25)7-13)17-2-3-23(12-17)20(26)28-19-15-5-14-6-16(19)10-21(27,8-14)9-15/h1,4,7,14-17,19,27H,2-3,5-6,8-10,12H2/t14?,15?,16?,17-,19-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 6.0 | 37 |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Vitro inhibition of 11.beta.-HSDl by test compounds, HTRF detecting cortisol generated from Koruchisuteron (cortisterone) by human liver microsomes (... |
US Patent US9163012 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W45 |
More data for this
Ligand-Target Pair | |
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