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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 = 'BDBM50467001'   
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))
BDBM50467001
PNG
(CHEMBL4285780)
Show SMILES Clc1ccccc1C(=O)c1sccc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H11ClO3S/c19-14-4-2-1-3-13(14)17(20)18-12(7-8-23-18)11-5-6-15-16(9-11)22-10-21-15/h1-9H,10H2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD (71 to 459 residues) expressed in Escherichia coli BL21(DE3) after 1...


Bioorg Med Chem Lett 28: 3210-3215 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.017
BindingDB Entry DOI: 10.7270/Q2KW5JPB
More data for this
Ligand-Target Pair