Found 5 hits for monomerid = 317894 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM317894
(US10399976, Compound 47 | US10807980, Compound 47 ...)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)C(=O)c3c2)nc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-2.19,;8.93,-2.96,;9.7,-4.3,;8.16,-4.3,;7.6,-2.19,;7.6,-.65,;6.27,.12,;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,;-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,;-4.93,1.31,;-3.07,-.65,;-1.74,.12,;4.93,-2.19,;6.27,-2.96,)| Show InChI InChI=1S/C27H33F3N4O4S/c1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30/h9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35)/t17-,19-,24-/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)
|
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317894
(US10399976, Compound 47 | US10807980, Compound 47 ...)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)C(=O)c3c2)nc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-2.19,;8.93,-2.96,;9.7,-4.3,;8.16,-4.3,;7.6,-2.19,;7.6,-.65,;6.27,.12,;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,;-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,;-4.93,1.31,;-3.07,-.65,;-1.74,.12,;4.93,-2.19,;6.27,-2.96,)| Show InChI InChI=1S/C27H33F3N4O4S/c1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30/h9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35)/t17-,19-,24-/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)) | BDBM317894
(US10399976, Compound 47 | US10807980, Compound 47 ...)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)C(=O)c3c2)nc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-2.19,;8.93,-2.96,;9.7,-4.3,;8.16,-4.3,;7.6,-2.19,;7.6,-.65,;6.27,.12,;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,;-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,;-4.93,1.31,;-3.07,-.65,;-1.74,.12,;4.93,-2.19,;6.27,-2.96,)| Show InChI InChI=1S/C27H33F3N4O4S/c1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30/h9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35)/t17-,19-,24-/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)) | BDBM317894
(US10399976, Compound 47 | US10807980, Compound 47 ...)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)C(=O)c3c2)nc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-2.19,;8.93,-2.96,;9.7,-4.3,;8.16,-4.3,;7.6,-2.19,;7.6,-.65,;6.27,.12,;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,;-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,;-4.93,1.31,;-3.07,-.65,;-1.74,.12,;4.93,-2.19,;6.27,-2.96,)| Show InChI InChI=1S/C27H33F3N4O4S/c1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30/h9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35)/t17-,19-,24-/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)
|
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM317894
(US10399976, Compound 47 | US10807980, Compound 47 ...)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)C(=O)c3c2)nc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-2.19,;8.93,-2.96,;9.7,-4.3,;8.16,-4.3,;7.6,-2.19,;7.6,-.65,;6.27,.12,;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,;-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,;-4.93,1.31,;-3.07,-.65,;-1.74,.12,;4.93,-2.19,;6.27,-2.96,)| Show InChI InChI=1S/C27H33F3N4O4S/c1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30/h9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35)/t17-,19-,24-/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 | |