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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 317893   
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))
BDBM317893
PNG
(Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r|
Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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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 US9624217 (2017)


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


(Homo sapiens (Human))
BDBM317893
PNG
(Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r|
Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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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))
BDBM317893
PNG
(Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r|
Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/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))
BDBM317893
PNG
(Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r|
Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/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