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BDBM285797 US10080744, Example 11/8

SMILES: CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F

InChI Key: InChIKey=ZFPXGNBLAZJWDM-INIZCTEOSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285797   
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))
BDBM285797
PNG
(US10080744, Example 11/8)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C25H29Cl2F3N4O6S2/c1-7-16(25(28,29)30)34-42(36,37)15-9-8-13(18(26)19(15)27)20-14(10-23(2,3)38-6)31-22(41-20)21-32-17(40-33-21)11-24(4,5)39-12-35/h8-9,12,16,34H,7,10-11H2,1-6H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/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))
BDBM285797
PNG
(US10080744, Example 11/8)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C25H29Cl2F3N4O6S2/c1-7-16(25(28,29)30)34-42(36,37)15-9-8-13(18(26)19(15)27)20-14(10-23(2,3)38-6)31-22(41-20)21-32-17(40-33-21)11-24(4,5)39-12-35/h8-9,12,16,34H,7,10-11H2,1-6H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.350n/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