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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50005473   
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))
BDBM50005473
PNG
(CHEMBL3234240 | CHEMBL345036)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H19N3O4S/c25-21-17-3-1-2-16-19(9-8-18(22-21)20(16)17)29(26,27)23-14-4-6-15(7-5-14)24-10-12-28-13-11-24/h1-9,23H,10-13H2,(H,22,25)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005473
PNG
(CHEMBL3234240 | CHEMBL345036)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H19N3O4S/c25-21-17-3-1-2-16-19(9-8-18(22-21)20(16)17)29(26,27)23-14-4-6-15(7-5-14)24-10-12-28-13-11-24/h1-9,23H,10-13H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005473
PNG
(CHEMBL3234240 | CHEMBL345036)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H19N3O4S/c25-21-17-3-1-2-16-19(9-8-18(22-21)20(16)17)29(26,27)23-14-4-6-15(7-5-14)24-10-12-28-13-11-24/h1-9,23H,10-13H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.84E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair