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BDBM50005484 CHEMBL3234255::CHEMBL344164

SMILES: CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)C(C)=O

InChI Key: InChIKey=GUQFBNIBOLNMAM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50005484   
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))
BDBM50005484
PNG
(CHEMBL3234255 | CHEMBL344164)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-10-11-19(16-8-5-9-17(20(16)18)21(23)25)28(26,27)22-15-7-4-6-14(12-15)13(2)24/h4-12,22H,3H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
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PC sid
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Similars

Article
PubMed
n/an/a 40n/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 (RORC)


(Homo sapiens (Human))
BDBM50005484
PNG
(CHEMBL3234255 | CHEMBL344164)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-10-11-19(16-8-5-9-17(20(16)18)21(23)25)28(26,27)22-15-7-4-6-14(12-15)13(2)24/h4-12,22H,3H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/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