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Patent code US9610264

Compile Data Set for Download or QSAR
Found 16 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
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314067
PNG
(US9610264, Compound 4)
Show SMILES O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H28N4O2S/c30-24(18-29-13-11-28(12-14-29)17-21-10-15-32-19-21)27-23-9-5-4-8-22(23)25(31)26-16-20-6-2-1-3-7-20/h1-10,15,19H,11-14,16-18H2,(H,26,31)(H,27,30)
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US Patent
n/an/a 0.270n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314059
PNG
(US9610264, Compound 1)
Show SMILES O=C(CCc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H22N2O2/c26-22(16-15-18-9-3-1-4-10-18)25-21-14-8-7-13-20(21)23(27)24-17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,27)(H,25,26)
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n/an/a 0.330n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314070
PNG
(US9610264, Compound 6)
Show SMILES CC(N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H35N5O3/c1-19-7-9-21(10-8-19)17-28-27(35)23-5-3-4-6-24(23)30-25(33)18-31-13-15-32(16-14-31)20(2)26(34)29-22-11-12-22/h3-10,20,22H,11-18H2,1-2H3,(H,28,35)(H,29,34)(H,30,33)
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n/an/a 0.460n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314068
PNG
(US9610264, Compound 5)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O5/c1-18(20-12-6-3-7-13-20)28-24(33)21-14-8-9-15-22(21)29-23(32)17-31-26(35)25(34)30(27(31)36)16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,28,33)(H,29,32)
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n/an/a 0.610n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314068
PNG
(US9610264, Compound 5)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O5/c1-18(20-12-6-3-7-13-20)28-24(33)21-14-8-9-15-22(21)29-23(32)17-31-26(35)25(34)30(27(31)36)16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,28,33)(H,29,32)
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n/an/a 0.640n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314065
PNG
(US9610264, Compound 2)
Show SMILES Fc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H19FN2O2/c23-18-12-10-16(11-13-18)14-21(26)25-20-9-5-4-8-19(20)22(27)24-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27)(H,25,26)
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n/an/a 0.890n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314071
PNG
(US9610264, Compound 7)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H23FN4O4/c1-26(18-11-13-19(27)14-12-18)24(34)31(25(35)30-26)16-22(32)29-21-10-6-5-9-20(21)23(33)28-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,28,33)(H,29,32)(H,30,35)
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n/an/a 0.980n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314072
PNG
(US9610264, Compound 8)
Show SMILES CC(C)C(=O)Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H26N2O3/c1-18(2)24(29)16-20-11-8-12-21(15-20)25(30)28-23-14-7-6-13-22(23)26(31)27-17-19-9-4-3-5-10-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 1.23n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314074
PNG
(US9610264, Compound 9)
Show SMILES CC1CCCCN1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-17-9-7-8-14-25(17)16-21(26)24-20-13-6-5-12-19(20)22(27)23-15-18-10-3-2-4-11-18/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,23,27)(H,24,26)
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n/an/a 1.53n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314075
PNG
(US9610264, Compound 10)
Show SMILES O=C(NCc1ccccc1)c1ccccc1NC(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C21H17N3O4/c25-20(16-9-6-10-17(13-16)24(27)28)23-19-12-5-4-11-18(19)21(26)22-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,26)(H,23,25)
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n/an/a 1.64n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314077
PNG
(US9610264, Compound 11)
Show SMILES Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCC3C=CC=CC3C2)cc1
Show InChI InChI=1S/C26H29N3O2/c1-19-10-12-20(13-11-19)16-27-26(31)23-8-4-5-9-24(23)28-25(30)18-29-15-14-21-6-2-3-7-22(21)17-29/h2-13,21-22H,14-18H2,1H3,(H,27,31)(H,28,30)
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n/an/a 2.19n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314078
PNG
(US9610264, Compound 12)
Show SMILES CCC(=O)Nc1cccc(c1)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C25H25N3O3/c1-3-23(29)27-20-8-6-7-19(15-20)24(30)28-22-10-5-4-9-21(22)25(31)26-16-18-13-11-17(2)12-14-18/h4-15H,3,16H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)
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n/an/a 2.45n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314079
PNG
(US9610264, Compound 14)
Show SMILES CCOC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)CC1
Show InChI InChI=1S/C24H30N4O4/c1-3-32-24(31)28-15-13-27(14-16-28)17-22(29)26-21-12-8-7-11-20(21)23(30)25-18(2)19-9-5-4-6-10-19/h4-12,18H,3,13-17H2,1-2H3,(H,25,30)(H,26,29)
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n/an/a 2.64n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314080
PNG
(US9610264, Compound 13)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H25N3O2/c1-18(19-9-3-2-4-10-19)26-25(30)21-12-6-7-13-22(21)27-24(29)17-28-16-15-20-11-5-8-14-23(20)28/h2-14,18H,15-17H2,1H3,(H,26,30)(H,27,29)
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n/an/a 2.80n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314081
PNG
(US9610264, Compound 15)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)NC(Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4/c1-18(20-12-6-3-7-13-20)28-25(33)21-14-8-9-15-22(21)29-24(32)17-31-26(34)23(30-27(31)35)16-19-10-4-2-5-11-19/h2-15,18,23H,16-17H2,1H3,(H,28,33)(H,29,32)(H,30,35)
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n/an/a 4.67n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM314066
PNG
(US9610264, Compound 3)
Show SMILES Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCc3ccccc23)cc1
Show InChI InChI=1S/C25H25N3O2/c1-18-10-12-19(13-11-18)16-26-25(30)21-7-3-4-8-22(21)27-24(29)17-28-15-14-20-6-2-5-9-23(20)28/h2-13H,14-17H2,1H3,(H,26,30)(H,27,29)
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n/an/a 19.2n/an/an/an/an/an/a



KFLP BIOTECH, LLC

US Patent


Assay Description
The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...


US Patent US9610264 (2017)

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