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Patent code US9302985

Compile Data Set for Download or QSAR
Found 17 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))
BDBM218772
PNG
(US9302985, 1)
Show SMILES CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H24F3NO4S2/c1-17(2)16-28(23-7-5-4-6-22(23)24(25,26)27)34(31,32)21-14-10-19(11-15-21)18-8-12-20(13-9-18)33(3,29)30/h4-15,17H,16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 11.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218781
PNG
(US9302985, 11)
Show SMILES CC(C)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO4S2/c1-17(2)16-25(21-10-8-20(24)9-11-21)31(28,29)23-14-6-19(7-15-23)18-4-12-22(13-5-18)30(3,26)27/h4-15,17H,16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218785
PNG
(US9302985, 15)
Show SMILES CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H23ClN2O3S/c1-16(2)15-26(21-5-3-4-20(24)14-21)30(28,29)22-12-10-18(11-13-22)17-6-8-19(9-7-17)23(25)27/h3-14,16H,15H2,1-2H3,(H2,25,27)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218786
PNG
(US9302985, 16)
Show SMILES CC(C)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H23ClN2O3S/c1-16(2)15-26(22-6-4-3-5-21(22)24)30(28,29)20-13-11-18(12-14-20)17-7-9-19(10-8-17)23(25)27/h3-14,16H,15H2,1-2H3,(H2,25,27)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218782
PNG
(US9302985, 12)
Show SMILES CC(C)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H24F3NO4S2/c1-17(2)16-28(21-6-4-5-20(15-21)24(25,26)27)34(31,32)23-13-9-19(10-14-23)18-7-11-22(12-8-18)33(3,29)30/h4-15,17H,16H2,1-3H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 78n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218780
PNG
(US9302985, 10)
Show SMILES CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO4S2/c1-17(2)16-25(21-8-5-7-20(24)15-21)31(28,29)23-9-4-6-19(14-23)18-10-12-22(13-11-18)30(3,26)27/h4-15,17H,16H2,1-3H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 82n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218775
PNG
(US9302985, 4)
Show SMILES CC(C)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H26ClNO4S2/c1-18(2)16-26(17-19-5-4-6-22(25)15-19)32(29,30)24-13-9-21(10-14-24)20-7-11-23(12-8-20)31(3,27)28/h4-15,18H,16-17H2,1-3H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 96n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218784
PNG
(US9302985, 14)
Show SMILES CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H23ClN2O4S2/c1-16(2)15-25(20-5-3-4-19(23)14-20)31(28,29)22-12-8-18(9-13-22)17-6-10-21(11-7-17)30(24,26)27/h3-14,16H,15H2,1-2H3,(H2,24,26,27)
PDB

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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
US Patent
n/an/a 103n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218783
PNG
(US9302985, 13)
Show SMILES CC(C)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H23ClN2O4S2/c1-16(2)15-25(22-6-4-3-5-21(22)23)31(28,29)20-13-9-18(10-14-20)17-7-11-19(12-8-17)30(24,26)27/h3-14,16H,15H2,1-2H3,(H2,24,26,27)
PDB

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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 116n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218778
PNG
(US9302985, 7)
Show SMILES CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C24H26N2O3S/c1-18(2)16-26(17-19-6-4-3-5-7-19)30(28,29)23-14-12-21(13-15-23)20-8-10-22(11-9-20)24(25)27/h3-15,18H,16-17H2,1-2H3,(H2,25,27)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 124n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218779
PNG
(US9302985, 9)
Show SMILES CC(C)CN(c1ccccc1Cl)S(=O)(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO4S2/c1-17(2)16-25(23-10-5-4-9-22(23)24)31(28,29)21-8-6-7-19(15-21)18-11-13-20(14-12-18)30(3,26)27/h4-15,17H,16H2,1-3H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 131n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218776
PNG
(US9302985, 5)
Show SMILES CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H24ClNO5S2/c1-17(2)16-25(19-6-4-5-18(24)15-19)32(28,29)23-13-9-21(10-14-23)30-20-7-11-22(12-8-20)31(3,26)27/h4-15,17H,16H2,1-3H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 138n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM50035881
PNG
(CHEMBL3361029 | US9302985, 8)
Show SMILES CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H27NO4S2/c1-19(2)17-25(18-20-7-5-4-6-8-20)31(28,29)24-15-11-22(12-16-24)21-9-13-23(14-10-21)30(3,26)27/h4-16,19H,17-18H2,1-3H3
PDB

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PC sid
UniChem

Similars

US Patent
n/an/a 158n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218787
PNG
(US9302985, 17)
Show SMILES CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H25ClN2O4S2/c1-17(2)16-26(22-6-4-5-20(24)15-22)32(29,30)23-13-9-19(10-14-23)18-7-11-21(12-8-18)25-31(3,27)28/h4-15,17,25H,16H2,1-3H3
PDB

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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 169n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218773
PNG
(US9302985, 2)
Show SMILES CC(C)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H25ClN2O4S2/c1-17(2)16-26(23-7-5-4-6-22(23)24)32(29,30)21-14-10-19(11-15-21)18-8-12-20(13-9-18)25-31(3,27)28/h4-15,17,25H,16H2,1-3H3
PDB

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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 927n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218777
PNG
(US9302985, 6)
Show SMILES CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H28N2O4S2/c1-19(2)17-26(18-20-7-5-4-6-8-20)32(29,30)24-15-11-22(12-16-24)21-9-13-23(14-10-21)25-31(3,27)28/h4-16,19,25H,17-18H2,1-3H3
PDB

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UniProtKB/SwissProt
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.30E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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


(Homo sapiens (Human))
BDBM218774
PNG
(US9302985, 3)
Show SMILES CC(C)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H26ClNO4S2/c1-18(2)16-26(17-21-6-4-5-7-24(21)25)32(29,30)23-14-10-20(11-15-23)19-8-12-22(13-9-19)31(3,27)28/h4-15,18H,16-17H2,1-3H3
PDB

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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 μL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash b...


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