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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50005411   
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))
BDBM50005411
PNG
(CHEMBL3234024 | CHEMBL423360)
Show SMILES CC1(C)Cc2oc3cc(NS(=O)(=O)c4ccc5NC(=O)c6cccc4c56)ccc3c2C(=O)C1
Show InChI InChI=1S/C25H20N2O5S/c1-25(2)11-18(28)23-14-7-6-13(10-19(14)32-20(23)12-25)27-33(30,31)21-9-8-17-22-15(21)4-3-5-16(22)24(29)26-17/h3-10,27H,11-12H2,1-2H3,(H,26,29)
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Article
PubMed
n/an/a 7.56E+3n/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))
BDBM50005411
PNG
(CHEMBL3234024 | CHEMBL423360)
Show SMILES CC1(C)Cc2oc3cc(NS(=O)(=O)c4ccc5NC(=O)c6cccc4c56)ccc3c2C(=O)C1
Show InChI InChI=1S/C25H20N2O5S/c1-25(2)11-18(28)23-14-7-6-13(10-19(14)32-20(23)12-25)27-33(30,31)21-9-8-17-22-15(21)4-3-5-16(22)24(29)26-17/h3-10,27H,11-12H2,1-2H3,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a 1.18E+4n/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))
BDBM50005411
PNG
(CHEMBL3234024 | CHEMBL423360)
Show SMILES CC1(C)Cc2oc3cc(NS(=O)(=O)c4ccc5NC(=O)c6cccc4c56)ccc3c2C(=O)C1
Show InChI InChI=1S/C25H20N2O5S/c1-25(2)11-18(28)23-14-7-6-13(10-19(14)32-20(23)12-25)27-33(30,31)21-9-8-17-22-15(21)4-3-5-16(22)24(29)26-17/h3-10,27H,11-12H2,1-2H3,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.03E+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