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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 = 'BDBM338448'   
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))
BDBM338448
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)c1ccccc1 |r|
Show InChI InChI=1S/C26H27F2NO3S/c1-18-12-13-26(20-10-6-3-7-11-20)33(31,32)29(18)16-21-14-25(28)22(15-24(21)27)23(17-30)19-8-4-2-5-9-19/h2-11,14-15,18,23,26,30H,12-13,16-17H2,1H3/t18-,23?,26+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM338448
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)c1ccccc1 |r|
Show InChI InChI=1S/C26H27F2NO3S/c1-18-12-13-26(20-10-6-3-7-11-20)33(31,32)29(18)16-21-14-25(28)22(15-24(21)27)23(17-30)19-8-4-2-5-9-19/h2-11,14-15,18,23,26,30H,12-13,16-17H2,1H3/t18-,23?,26+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair