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SMILES: CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(C(F)F)c1F)C(F)(F)F

InChI Key: InChIKey=HHVQZZWGSJESFS-KRWDZBQOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285795   
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


(Homo sapiens (Human))
BDBM285795
PNG
(US10080744, Example 11/6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(C(F)F)c1F)C(F)(F)F |r|
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-17(26(30,31)32)36-43(38,39)16-9-8-14(19(20(16)27)22(28)29)21-15(10-13-6-5-7-13)33-24(42-21)23-34-18(41-35-23)11-25(2,3)40-12-37/h8-9,12-13,17,22,36H,4-7,10-11H2,1-3H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)


BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285795
PNG
(US10080744, Example 11/6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(C(F)F)c1F)C(F)(F)F |r|
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-17(26(30,31)32)36-43(38,39)16-9-8-14(19(20(16)27)22(28)29)21-15(10-13-6-5-7-13)33-24(42-21)23-34-18(41-35-23)11-25(2,3)40-12-37/h8-9,12-13,17,22,36H,4-7,10-11H2,1-3H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.140n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)


BindingDB Entry DOI: 10.7270/Q21J9CVM
More data for this
Ligand-Target Pair