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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma [262-507]' and Ligand = 'BDBM327563'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nuclear receptor ROR-gamma [262-507]


(Homo sapiens (Human))
BDBM327563
PNG
(US9663469, 102 | US9663469, 120 | US9663469, 121)
Show SMILES O[C@@H]1COC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F7N2O6S/c25-15-3-6-17(7-4-15)40(37,38)33-16(10-21(35)32-18-11-39-12-20(18)34)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16,18,20,34,36H,1,5,10-12H2,(H,32,35)/t16-,18+,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...


US Patent US9663469 (2017)


BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507]


(Homo sapiens (Human))
BDBM327563
PNG
(US9663469, 102 | US9663469, 120 | US9663469, 121)
Show SMILES O[C@@H]1COC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F7N2O6S/c25-15-3-6-17(7-4-15)40(37,38)33-16(10-21(35)32-18-11-39-12-20(18)34)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16,18,20,34,36H,1,5,10-12H2,(H,32,35)/t16-,18+,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16.9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...


US Patent US9663469 (2017)


BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507]


(Homo sapiens (Human))
BDBM327563
PNG
(US9663469, 102 | US9663469, 120 | US9663469, 121)
Show SMILES O[C@@H]1COC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F7N2O6S/c25-15-3-6-17(7-4-15)40(37,38)33-16(10-21(35)32-18-11-39-12-20(18)34)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16,18,20,34,36H,1,5,10-12H2,(H,32,35)/t16-,18+,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32.9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...


US Patent US9663469 (2017)


BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
More data for this
Ligand-Target Pair