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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma [262-507]' and Ligand = 'BDBM382950'   
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))
BDBM382950
PNG
(US10273259, Example 661 | US10273259, Example 663 ...)
Show SMILES COC(=O)C1CCN(CC1C)C(=O)N1CC2CCc3cc(ccc3C2(C1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H30F8N2O5S/c1-17-14-39(12-11-23(17)25(41)45-2)26(42)40-15-20-4-3-18-13-19(28(32,29(33,34)35)30(36,37)38)5-10-24(18)27(20,16-40)46(43,44)22-8-6-21(31)7-9-22/h5-10,13,17,20,23H,3-4,11-12,14-16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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 (Perkin Elmer NET674250UC) using a scintillat...


US Patent US10711020 (2020)


BindingDB Entry DOI: 10.7270/Q2N019JS
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507]


(Homo sapiens (Human))
BDBM382950
PNG
(US10273259, Example 661 | US10273259, Example 663 ...)
Show SMILES COC(=O)C1CCN(CC1C)C(=O)N1CC2CCc3cc(ccc3C2(C1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H30F8N2O5S/c1-17-14-39(12-11-23(17)25(41)45-2)26(42)40-15-20-4-3-18-13-19(28(32,29(33,34)35)30(36,37)38)5-10-24(18)27(20,16-40)46(43,44)22-8-6-21(31)7-9-22/h5-10,13,17,20,23H,3-4,11-12,14-16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.61E+3n/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 (Perkin Elmer NET674250UC) using a scintillat...


US Patent US10711020 (2020)


BindingDB Entry DOI: 10.7270/Q2N019JS
More data for this
Ligand-Target Pair