Found 2 hits for monomerid = 329653 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)) | BDBM329653
(US11001583, Compound 9 | US9663515, Compound 9)Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1 |r,wU:33.37,30.30,wD:11.17,24.25,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;8.27,-.61,;6.93,.16,;5.6,-.61,;5.6,-2.15,;6.93,-2.92,;4.26,.16,;4.26,1.7,;5.6,2.47,;5.6,4.01,;6.93,4.78,;4.27,4.78,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21+,24-,26+/m1/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 US11001583 (2021)
|
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329653
(US11001583, Compound 9 | US9663515, Compound 9)Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1 |r,wU:33.37,30.30,wD:11.17,24.25,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;8.27,-.61,;6.93,.16,;5.6,-.61,;5.6,-2.15,;6.93,-2.92,;4.26,.16,;4.26,1.7,;5.6,2.47,;5.6,4.01,;6.93,4.78,;4.27,4.78,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21+,24-,26+/m1/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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
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