Found 4 hits of ki for monomerid = 317892 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)) | BDBM317892
(US10399976, Compound 45 | US10807980, Compound 45 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-.96,;9.88,-.96,;9.11,-2.3,;10.44,-3.07,;8.34,-3.63,;7.78,-1.53,;6.44,-2.3,;5.11,-1.53,;5.11,.01,;3.78,.78,;2.44,.01,;1.11,.78,;1.11,2.32,;-.22,.01,;-.22,-1.53,;-1.56,-2.3,;-2.89,-1.53,;-4.36,-2,;-4.75,-3.49,;-6.24,-3.89,;-3.67,-4.58,;-5.26,-.76,;-6.8,-.76,;-7.57,.58,;-6.8,1.91,;-7.57,3.24,;-9.11,3.24,;-9.88,1.91,;-9.11,.58,;-9.88,4.58,;-11.42,4.58,;-4.36,.49,;-2.89,.01,;-1.56,.78,;6.44,.78,;7.78,.01,)| Show InChI InChI=1S/C28H39N3O4S/c1-5-36(33,34)25-12-8-20(9-13-25)15-30-28(32)22-14-23-18-31(27(19(2)3)26(23)29-16-22)17-21-6-10-24(35-4)11-7-21/h8-9,12-14,16,19,21,24,27H,5-7,10-11,15,17-18H2,1-4H3,(H,30,32)/t21-,24-,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)) | BDBM317892
(US10399976, Compound 45 | US10807980, Compound 45 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-.96,;9.88,-.96,;9.11,-2.3,;10.44,-3.07,;8.34,-3.63,;7.78,-1.53,;6.44,-2.3,;5.11,-1.53,;5.11,.01,;3.78,.78,;2.44,.01,;1.11,.78,;1.11,2.32,;-.22,.01,;-.22,-1.53,;-1.56,-2.3,;-2.89,-1.53,;-4.36,-2,;-4.75,-3.49,;-6.24,-3.89,;-3.67,-4.58,;-5.26,-.76,;-6.8,-.76,;-7.57,.58,;-6.8,1.91,;-7.57,3.24,;-9.11,3.24,;-9.88,1.91,;-9.11,.58,;-9.88,4.58,;-11.42,4.58,;-4.36,.49,;-2.89,.01,;-1.56,.78,;6.44,.78,;7.78,.01,)| Show InChI InChI=1S/C28H39N3O4S/c1-5-36(33,34)25-12-8-20(9-13-25)15-30-28(32)22-14-23-18-31(27(19(2)3)26(23)29-16-22)17-21-6-10-24(35-4)11-7-21/h8-9,12-14,16,19,21,24,27H,5-7,10-11,15,17-18H2,1-4H3,(H,30,32)/t21-,24-,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)) | BDBM317892
(US10399976, Compound 45 | US10807980, Compound 45 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-.96,;9.88,-.96,;9.11,-2.3,;10.44,-3.07,;8.34,-3.63,;7.78,-1.53,;6.44,-2.3,;5.11,-1.53,;5.11,.01,;3.78,.78,;2.44,.01,;1.11,.78,;1.11,2.32,;-.22,.01,;-.22,-1.53,;-1.56,-2.3,;-2.89,-1.53,;-4.36,-2,;-4.75,-3.49,;-6.24,-3.89,;-3.67,-4.58,;-5.26,-.76,;-6.8,-.76,;-7.57,.58,;-6.8,1.91,;-7.57,3.24,;-9.11,3.24,;-9.88,1.91,;-9.11,.58,;-9.88,4.58,;-11.42,4.58,;-4.36,.49,;-2.89,.01,;-1.56,.78,;6.44,.78,;7.78,.01,)| Show InChI InChI=1S/C28H39N3O4S/c1-5-36(33,34)25-12-8-20(9-13-25)15-30-28(32)22-14-23-18-31(27(19(2)3)26(23)29-16-22)17-21-6-10-24(35-4)11-7-21/h8-9,12-14,16,19,21,24,27H,5-7,10-11,15,17-18H2,1-4H3,(H,30,32)/t21-,24-,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)) | BDBM317892
(US10399976, Compound 45 | US10807980, Compound 45 ...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-.96,;9.88,-.96,;9.11,-2.3,;10.44,-3.07,;8.34,-3.63,;7.78,-1.53,;6.44,-2.3,;5.11,-1.53,;5.11,.01,;3.78,.78,;2.44,.01,;1.11,.78,;1.11,2.32,;-.22,.01,;-.22,-1.53,;-1.56,-2.3,;-2.89,-1.53,;-4.36,-2,;-4.75,-3.49,;-6.24,-3.89,;-3.67,-4.58,;-5.26,-.76,;-6.8,-.76,;-7.57,.58,;-6.8,1.91,;-7.57,3.24,;-9.11,3.24,;-9.88,1.91,;-9.11,.58,;-9.88,4.58,;-11.42,4.58,;-4.36,.49,;-2.89,.01,;-1.56,.78,;6.44,.78,;7.78,.01,)| Show InChI InChI=1S/C28H39N3O4S/c1-5-36(33,34)25-12-8-20(9-13-25)15-30-28(32)22-14-23-18-31(27(19(2)3)26(23)29-16-22)17-21-6-10-24(35-4)11-7-21/h8-9,12-14,16,19,21,24,27H,5-7,10-11,15,17-18H2,1-4H3,(H,30,32)/t21-,24-,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 | |
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