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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 329658   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM329658
PNG
(US11001583, Compound 14 | US9663515, Compound 14)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COCC(O)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C31H40F3N3O6S/c1-4-44(41,42)25-11-7-21(8-12-25)26(17-43-18-27(38)39)36-30(40)22-13-23-16-37(29(19(2)3)28(23)35-14-22)15-20-5-9-24(10-6-20)31(32,33)34/h7-8,11-14,19-20,24,26,29H,4-6,9-10,15-18H2,1-3H3,(H,36,40)(H,38,39)/t20-,24-,26-,29-/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM329658
PNG
(US11001583, Compound 14 | US9663515, Compound 14)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COCC(O)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C31H40F3N3O6S/c1-4-44(41,42)25-11-7-21(8-12-25)26(17-43-18-27(38)39)36-30(40)22-13-23-16-37(29(19(2)3)28(23)35-14-22)15-20-5-9-24(10-6-20)31(32,33)34/h7-8,11-14,19-20,24,26,29H,4-6,9-10,15-18H2,1-3H3,(H,36,40)(H,38,39)/t20-,24-,26-,29-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals Inc

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9663515 (2017)


BindingDB Entry DOI: 10.7270/Q21N837W
More data for this
Ligand-Target Pair