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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-beta' and Ligand = 'BDBM50012265'   
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-beta


(Homo sapiens (Human))
BDBM50012265
PNG
(CHEMBL3259996)
Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)


Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8
More data for this
Ligand-Target Pair