Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317888' 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)) | BDBM317888
(US10807980, Compound 41 | US11535614, Compound 41 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:23.22,26.29,wD:17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-9.29,-.09,;-10.06,1.24,;-9.29,2.58,;-7.75,2.58,;-6.98,1.24,;-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,;6.27,.12,;7.6,-.65,)| Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35)/t20-,23+,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)) | BDBM317888
(US10807980, Compound 41 | US11535614, Compound 41 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:23.22,26.29,wD:17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-9.29,-.09,;-10.06,1.24,;-9.29,2.58,;-7.75,2.58,;-6.98,1.24,;-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,;6.27,.12,;7.6,-.65,)| Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35)/t20-,23+,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)) | BDBM317888
(US10807980, Compound 41 | US11535614, Compound 41 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:23.22,26.29,wD:17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-9.29,-.09,;-10.06,1.24,;-9.29,2.58,;-7.75,2.58,;-6.98,1.24,;-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,;6.27,.12,;7.6,-.65,)| Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35)/t20-,23+,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)) | BDBM317888
(US10807980, Compound 41 | US11535614, Compound 41 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:23.22,26.29,wD:17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-9.29,-.09,;-10.06,1.24,;-9.29,2.58,;-7.75,2.58,;-6.98,1.24,;-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,;6.27,.12,;7.6,-.65,)| Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35)/t20-,23+,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | >1.00E+3 | 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 | |