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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM285768'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285768
PNG
(US10080744, Example 3/35)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)OC=O)o1)C(F)(F)F |r|
Show InChI InChI=1S/C29H33F3N4O4S/c1-16(29(30,31)32)33-24(38)19-11-18(12-20(13-19)28(4)8-9-28)23-21(10-17-6-5-7-17)34-26(41-23)25-36-35-22(40-25)14-27(2,3)39-15-37/h11-13,15-17H,5-10,14H2,1-4H3,(H,33,38)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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))
BDBM285768
PNG
(US10080744, Example 3/35)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)OC=O)o1)C(F)(F)F |r|
Show InChI InChI=1S/C29H33F3N4O4S/c1-16(29(30,31)32)33-24(38)19-11-18(12-20(13-19)28(4)8-9-28)23-21(10-17-6-5-7-17)34-26(41-23)25-36-35-22(40-25)14-27(2,3)39-15-37/h11-13,15-17H,5-10,14H2,1-4H3,(H,33,38)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.60n/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