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BDBM50035912 CHEMBL3361055

SMILES: [#6]-[#6](-[#6])-[#6]-[#7](-[#6]-c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)S([#6])(=O)=O)cc1

InChI Key: InChIKey=FZKHRGDBHXKBBU-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50035912   
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))
BDBM50035912
PNG
(CHEMBL3361055)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#7](-[#6]-c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)S([#6])(=O)=O)cc1
Show InChI InChI=1S/C25H31F3N2O4S2/c1-19(2)17-30(18-22-6-4-5-7-24(22)25(26,27)28)36(33,34)23-10-8-20(9-11-23)16-21-12-14-29(15-13-21)35(3,31)32/h4-11,16,19H,12-15,17-18H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50035912
PNG
(CHEMBL3361055)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#7](-[#6]-c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)S([#6])(=O)=O)cc1
Show InChI InChI=1S/C25H31F3N2O4S2/c1-19(2)17-30(18-22-6-4-5-7-24(22)25(26,27)28)36(33,34)23-10-8-20(9-11-23)16-21-12-14-29(15-13-21)35(3,31)32/h4-11,16,19H,12-15,17-18H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain expressed in bacterial expression system assessed as inhibition ...


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair