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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 = 'BDBM50424525'   
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))
BDBM50424525
PNG
(CHEMBL2312131)
Show SMILES CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1cc(C)ccc1O
Show InChI InChI=1S/C24H29NO4/c1-15-4-6-21(26)20(9-15)19(18-5-7-22-23(10-18)29-14-28-22)11-24(27)25-12-16(2)8-17(3)13-25/h4-7,9-10,16-17,19,26H,8,11-14H2,1-3H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair