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Patent code US9321750

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM223572
PNG
(US9321750, 4)
Show SMILES CC(=O)Nc1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H18F6N2O2/c1-12(29)27-16-6-7-17-14(10-16)8-9-28(17)11-13-2-4-15(5-3-13)18(30,19(21,22)23)20(24,25)26/h2-7,10,30H,8-9,11H2,1H3,(H,27,29)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


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


(Homo sapiens (Human))
BDBM223571
PNG
(US9321750, 3)
Show SMILES CC(=O)Nc1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc2c1
Show InChI InChI=1S/C21H18F6N2O3/c1-12(30)28-16-7-8-17-14(10-16)4-9-18(31)29(17)11-13-2-5-15(6-3-13)19(32,20(22,23)24)21(25,26)27/h2-3,5-8,10,32H,4,9,11H2,1H3,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


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


(Homo sapiens (Human))
BDBM223574
PNG
(US9321750, 6)
Show SMILES CS(=O)(=O)Nc1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc2c1
Show InChI InChI=1S/C20H18F6N2O4S/c1-33(31,32)27-15-7-8-16-13(10-15)4-9-17(29)28(16)11-12-2-5-14(6-3-12)18(30,19(21,22)23)20(24,25)26/h2-3,5-8,10,27,30H,4,9,11H2,1H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


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


(Homo sapiens (Human))
BDBM223573
PNG
(US9321750, 5)
Show SMILES CS(=O)(=O)Nc1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCCc2c1
Show InChI InChI=1S/C20H20F6N2O3S/c1-32(30,31)27-16-8-9-17-14(11-16)3-2-10-28(17)12-13-4-6-15(7-5-13)18(29,19(21,22)23)20(24,25)26/h4-9,11,27,29H,2-3,10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


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


(Homo sapiens (Human))
BDBM50044251
PNG
(CHEMBL3314037 | US9321750, 2)
Show SMILES CC(=O)Nc1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCCc2c1
Show InChI InChI=1S/C21H20F6N2O2/c1-13(30)28-17-8-9-18-15(11-17)3-2-10-29(18)12-14-4-6-16(7-5-14)19(31,20(22,23)24)21(25,26)27/h4-9,11,31H,2-3,10,12H2,1H3,(H,28,30)
PDB

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Patents


Similars

US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%