Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM329657' 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)) | BDBM329657
(US11001583, Compound 13 | US9663515, Compound 13)Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC |r,wU:8.11,25.27,2.1,wD:5.4,(-5.97,-4.76,;-4.64,-3.99,;-3.87,-2.66,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.08,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.08,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;1.6,.13,;1.6,1.67,;2.93,-.64,;4.26,.13,;4.26,1.67,;5.6,2.44,;5.6,3.98,;6.93,4.75,;4.27,4.75,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.21,;8.27,-.64,;6.93,.13,;9.65,-2.98,;8.88,-4.31,;10.42,-1.64,;10.98,-3.75,;12.31,-2.98,)| Show InChI InChI=1S/C29H37F3N4O5S/c1-3-25-26-21(16-36(25)15-18-5-9-22(10-6-18)29(30,31)32)13-20(14-34-26)27(37)35-24(17-41-28(33)38)19-7-11-23(12-8-19)42(39,40)4-2/h7-8,11-14,18,22,24-25H,3-6,9-10,15-17H2,1-2H3,(H2,33,38)(H,35,37)/t18-,22-,24-,25+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 550 | 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)) | BDBM329657
(US11001583, Compound 13 | US9663515, Compound 13)Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC |r,wU:8.11,25.27,2.1,wD:5.4,(-5.97,-4.76,;-4.64,-3.99,;-3.87,-2.66,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.08,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.08,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;1.6,.13,;1.6,1.67,;2.93,-.64,;4.26,.13,;4.26,1.67,;5.6,2.44,;5.6,3.98,;6.93,4.75,;4.27,4.75,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.21,;8.27,-.64,;6.93,.13,;9.65,-2.98,;8.88,-4.31,;10.42,-1.64,;10.98,-3.75,;12.31,-2.98,)| Show InChI InChI=1S/C29H37F3N4O5S/c1-3-25-26-21(16-36(25)15-18-5-9-22(10-6-18)29(30,31)32)13-20(14-34-26)27(37)35-24(17-41-28(33)38)19-7-11-23(12-8-19)42(39,40)4-2/h7-8,11-14,18,22,24-25H,3-6,9-10,15-17H2,1-2H3,(H2,33,38)(H,35,37)/t18-,22-,24-,25+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 550 | 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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