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BDBM50005475 CHEMBL140883::CHEMBL3234246

SMILES: O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=DWCKWRDXAXHZKY-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50005475   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50005475
PNG
(CHEMBL140883 | CHEMBL3234246)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16N2O4S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)30(27,28)25-15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-14,25H,(H,24,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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 (RORC)


(Homo sapiens (Human))
BDBM50005475
PNG
(CHEMBL140883 | CHEMBL3234246)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16N2O4S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)30(27,28)25-15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-14,25H,(H,24,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.09E+3n/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
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50005475
PNG
(CHEMBL140883 | CHEMBL3234246)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16N2O4S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)30(27,28)25-15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-14,25H,(H,24,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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