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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM253089'   
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


(Homo sapiens (Human))
BDBM253089
PNG
(US9458171, 49)
Show SMILES COCC(=O)N1CCC(C1)(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1/C22H20F7NO5S/c1-35-12-18(31)30-11-10-19(13-30,36(33,34)17-8-6-16(23)7-9-17)14-2-4-15(5-3-14)20(32,21(24,25)26)22(27,28)29/h2-9,32H,10-13H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 281n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


US Patent US9458171 (2016)


BindingDB Entry DOI: 10.7270/Q2NK3CZM
More data for this
Ligand-Target Pair