Found 6 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317986' 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)) | BDBM317986
(US10399976, Compound 139 | US10807980, Compound 13...)Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)| Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)26-25-22(16-34(26)15-20-7-9-23(10-8-20)28(29,30)31)12-21(14-32-25)27(37)33-13-19-5-3-18(4-6-19)11-24(35)36/h7-10,12,14,17-19,26H,3-6,11,13,15-16H2,1-2H3,(H,33,37)(H,35,36)/t18-,19-,26-/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)) | BDBM317986
(US10399976, Compound 139 | US10807980, Compound 13...)Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)| Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)26-25-22(16-34(26)15-20-7-9-23(10-8-20)28(29,30)31)12-21(14-32-25)27(37)33-13-19-5-3-18(4-6-19)11-24(35)36/h7-10,12,14,17-19,26H,3-6,11,13,15-16H2,1-2H3,(H,33,37)(H,35,36)/t18-,19-,26-/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)) | BDBM317986
(US10399976, Compound 139 | US10807980, Compound 13...)Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)| Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)26-25-22(16-34(26)15-20-7-9-23(10-8-20)28(29,30)31)12-21(14-32-25)27(37)33-13-19-5-3-18(4-6-19)11-24(35)36/h7-10,12,14,17-19,26H,3-6,11,13,15-16H2,1-2H3,(H,33,37)(H,35,36)/t18-,19-,26-/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)) | BDBM317986
(US10399976, Compound 139 | US10807980, Compound 13...)Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)| Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)26-25-22(16-34(26)15-20-7-9-23(10-8-20)28(29,30)31)12-21(14-32-25)27(37)33-13-19-5-3-18(4-6-19)11-24(35)36/h7-10,12,14,17-19,26H,3-6,11,13,15-16H2,1-2H3,(H,33,37)(H,35,36)/t18-,19-,26-/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)) | BDBM317986
(US10399976, Compound 139 | US10807980, Compound 13...)Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)| Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)26-25-22(16-34(26)15-20-7-9-23(10-8-20)28(29,30)31)12-21(14-32-25)27(37)33-13-19-5-3-18(4-6-19)11-24(35)36/h7-10,12,14,17-19,26H,3-6,11,13,15-16H2,1-2H3,(H,33,37)(H,35,36)/t18-,19-,26-/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)) | BDBM317986
(US10399976, Compound 139 | US10807980, Compound 13...)Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)| Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)26-25-22(16-34(26)15-20-7-9-23(10-8-20)28(29,30)31)12-21(14-32-25)27(37)33-13-19-5-3-18(4-6-19)11-24(35)36/h7-10,12,14,17-19,26H,3-6,11,13,15-16H2,1-2H3,(H,33,37)(H,35,36)/t18-,19-,26-/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 | |
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