Found 6 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317891' 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 |
|---|
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317891
(US10399976, Compound 44 | US10807980, Compound 44 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)| Show InChI InChI=1S/C29H39N3O5S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33)/t21-,22-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li... |
US Patent US9624217 (2017)
BindingDB Entry DOI: 10.7270/Q29P33RJ |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317891
(US10399976, Compound 44 | US10807980, Compound 44 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)| Show InChI InChI=1S/C29H39N3O5S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33)/t21-,22-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, LLC
US Patent
| Assay Description
Compounds of the present invention were tested for ability to bind to ROR gamma in a cell-free competition assay with commercially available radio-li... |
US Patent US10399976 (2019)
BindingDB Entry DOI: 10.7270/Q2F76FXT |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317891
(US10399976, Compound 44 | US10807980, Compound 44 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)| Show InChI InChI=1S/C29H39N3O5S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33)/t21-,22-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BK1H79 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317891
(US10399976, Compound 44 | US10807980, Compound 44 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)| Show InChI InChI=1S/C29H39N3O5S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33)/t21-,22-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, LLC
US Patent
| Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li... |
US Patent US10807980 (2020)
BindingDB Entry DOI: 10.7270/Q2PR803S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317891
(US10399976, Compound 44 | US10807980, Compound 44 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)| Show InChI InChI=1S/C29H39N3O5S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33)/t21-,22-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, LLC
US Patent
| Assay Description
Compounds of the present invention were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol... |
US Patent US10807980 (2020)
BindingDB Entry DOI: 10.7270/Q2PR803S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317891
(US10399976, Compound 44 | US10807980, Compound 44 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)| Show InChI InChI=1S/C29H39N3O5S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33)/t21-,22-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, LLC
US Patent
| Assay Description
Compounds of the present invention were tested for ROR gamma inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol... |
US Patent US10399976 (2019)
BindingDB Entry DOI: 10.7270/Q2F76FXT |
More data for this
Ligand-Target Pair | |
Search and Browse
