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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 189873   
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))
BDBM189873
PNG
(US10227346, Example 2 | US10426135, Example 2 | US...)
Show SMILES Cc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-7-8-20(13-21(17)14-33)27(38)35-23-15-34-26-24(25(23)29(30,31)32)22(16-36(26)2)18-9-11-37(12-10-18)28(39)19-5-3-4-6-19/h7-8,13,15-16,18-19H,3-6,9-12H2,1-2H3,(H,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189873
PNG
(US10227346, Example 2 | US10426135, Example 2 | US...)
Show SMILES Cc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-7-8-20(13-21(17)14-33)27(38)35-23-15-34-26-24(25(23)29(30,31)32)22(16-36(26)2)18-9-11-37(12-10-18)28(39)19-5-3-4-6-19/h7-8,13,15-16,18-19H,3-6,9-12H2,1-2H3,(H,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...


US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189873
PNG
(US10227346, Example 2 | US10426135, Example 2 | US...)
Show SMILES Cc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-7-8-20(13-21(17)14-33)27(38)35-23-15-34-26-24(25(23)29(30,31)32)22(16-36(26)2)18-9-11-37(12-10-18)28(39)19-5-3-4-6-19/h7-8,13,15-16,18-19H,3-6,9-12H2,1-2H3,(H,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Montana State University





J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2GH9M91
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189873
PNG
(US10227346, Example 2 | US10426135, Example 2 | US...)
Show SMILES Cc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-7-8-20(13-21(17)14-33)27(38)35-23-15-34-26-24(25(23)29(30,31)32)22(16-36(26)2)18-9-11-37(12-10-18)28(39)19-5-3-4-6-19/h7-8,13,15-16,18-19H,3-6,9-12H2,1-2H3,(H,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...


J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair