Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM329659' 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)) | BDBM329659
(US11001583, Compound 15 | US9663515, Compound 15)Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:31.35,11.15,wD:28.28,22.23,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;2.93,2.47,;2.93,4.01,;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,;-6.31,1.29,;-7.08,2.62,;-8.62,2.62,;-9.39,1.29,;-8.62,-.04,;-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/C30H40F3N3O4S/c1-5-41(38,39)25-12-8-21(9-13-25)26(18-40-4)35-29(37)22-14-23-17-36(28(19(2)3)27(23)34-15-22)16-20-6-10-24(11-7-20)30(31,32)33/h8-9,12-15,19-20,24,26,28H,5-7,10-11,16-18H2,1-4H3,(H,35,37)/t20-,24-,26-,28-/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 US11001583 (2021)
BindingDB Entry DOI: 10.7270/Q2JW8J06 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329659
(US11001583, Compound 15 | US9663515, Compound 15)Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:31.35,11.15,wD:28.28,22.23,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;2.93,2.47,;2.93,4.01,;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,;-6.31,1.29,;-7.08,2.62,;-8.62,2.62,;-9.39,1.29,;-8.62,-.04,;-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/C30H40F3N3O4S/c1-5-41(38,39)25-12-8-21(9-13-25)26(18-40-4)35-29(37)22-14-23-17-36(28(19(2)3)27(23)34-15-22)16-20-6-10-24(11-7-20)30(31,32)33/h8-9,12-15,19-20,24,26,28H,5-7,10-11,16-18H2,1-4H3,(H,35,37)/t20-,24-,26-,28-/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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
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