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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma (RORC)' and Ligand = 'BDBM50165109'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50165109
PNG
(CHEMBL3798333)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18N4O3S/c1-17-2-12-22(13-3-17)31(29,30)27(21-10-6-19(15-25)7-11-21)16-23(28)26-20-8-4-18(14-24)5-9-20/h2-13H,16H2,1H3,(H,26,28)
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Article
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay


Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50165109
PNG
(CHEMBL3798333)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18N4O3S/c1-17-2-12-22(13-3-17)31(29,30)27(21-10-6-19(15-25)7-11-21)16-23(28)26-20-8-4-18(14-24)5-9-20/h2-13H,16H2,1H3,(H,26,28)
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UniChem

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Article
PubMed
n/an/a 6.53E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...


Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair