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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 318006   
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))
BDBM318006
PNG
(US10399976, Compound 159 | US10807980, Compound 15...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nn1 |r|
Show InChI InChI=1S/C26H28F3N5O3S/c1-4-38(36,37)22-10-9-21(32-33-22)13-31-25(35)18-11-19-15-34(24(16(2)3)23(19)30-12-18)14-17-5-7-20(8-6-17)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,31,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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 US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM318006
PNG
(US10399976, Compound 159 | US10807980, Compound 15...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nn1 |r|
Show InChI InChI=1S/C26H28F3N5O3S/c1-4-38(36,37)22-10-9-21(32-33-22)13-31-25(35)18-11-19-15-34(24(16(2)3)23(19)30-12-18)14-17-5-7-20(8-6-17)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,31,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BK1H79
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM318006
PNG
(US10399976, Compound 159 | US10807980, Compound 15...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nn1 |r|
Show InChI InChI=1S/C26H28F3N5O3S/c1-4-38(36,37)22-10-9-21(32-33-22)13-31-25(35)18-11-19-15-34(24(16(2)3)23(19)30-12-18)14-17-5-7-20(8-6-17)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,31,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 US10807980 (2020)


BindingDB Entry DOI: 10.7270/Q2PR803S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM318006
PNG
(US10399976, Compound 159 | US10807980, Compound 15...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nn1 |r|
Show InChI InChI=1S/C26H28F3N5O3S/c1-4-38(36,37)22-10-9-21(32-33-22)13-31-25(35)18-11-19-15-34(24(16(2)3)23(19)30-12-18)14-17-5-7-20(8-6-17)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,31,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 ROR gamma in a cell-free competition assay with commercially available radio-li...


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair