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Patent code US10308652

Compile Data Set for Download or QSAR
Found 64 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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395725
PNG
(Cis-(6R,9R)-9-(2-(difluoromethoxy)phenyl)-2-(4-(2-...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-25(2,33)15-9-7-14(8-10-15)17-11-12-20-29-22-18(32)13-28-21(23(22)31(20)30-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,21,24,28,32-33H,13H2,1-2H3/t18-,21-/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395748
PNG
(US10308652, Example 29 | US10308652, Example 42)
Show SMILES CC(C)(C)COc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C27H28F2N4O3/c1-27(2,3)15-35-17-10-8-16(9-11-17)19-12-13-22-31-24-20(34)14-30-23(25(24)33(22)32-19)18-6-4-5-7-21(18)36-26(28)29/h4-13,20,23,26,30,34H,14-15H2,1-3H3/t20-,23+/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395732
PNG
(US10308652, Example 13)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](F)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H23F3N4O2/c1-25(2,33)15-9-7-14(8-10-15)18-11-12-20-30-22-17(26)13-29-21(23(22)32(20)31-18)16-5-3-4-6-19(16)34-24(27)28/h3-12,17,21,24,29,33H,13H2,1-2H3/t17-,21-/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395727
PNG
((+/−)-Cis-2-(4-((6S,9S)-9-(2-(difluoromethox...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](F)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H23F3N4O2/c1-25(2,33)15-9-7-14(8-10-15)18-11-12-20-30-22-17(26)13-29-21(23(22)32(20)31-18)16-5-3-4-6-19(16)34-24(27)28/h3-12,17,21,24,29,33H,13H2,1-2H3/t17-,21-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395752
PNG
(US10308652, Example 33)
Show SMILES CCCOc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-2-13-33-16-9-7-15(8-10-16)18-11-12-21-29-23-19(32)14-28-22(24(23)31(21)30-18)17-5-3-4-6-20(17)34-25(26)27/h3-12,19,22,25,28,32H,2,13-14H2,1H3/t19-,22+/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395721
PNG
((+/−)-2-(4-(9-(2-(Difluoromethoxy)phenyl)-6,...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCNC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O2/c1-25(2,32)16-9-7-15(8-10-16)18-11-12-21-29-19-13-14-28-22(23(19)31(21)30-18)17-5-3-4-6-20(17)33-24(26)27/h3-12,22,24,28,32H,13-14H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395745
PNG
(US10308652, Example 26)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CNC(c3n2n1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-24(2,34)15-9-7-14(8-10-15)17-11-12-20-30-22-18(33)13-29-21(23(22)32(20)31-17)16-5-3-4-6-19(16)35-25(26,27)28/h3-12,18,21,29,33-34H,13H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395777
PNG
(Cis-9-(2-(difluoromethoxy)phenyl)-2-(4-(2-hydroxyp...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CO[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H23F2N3O4/c1-25(2,32)15-9-7-14(8-10-15)17-11-12-20-28-21-18(31)13-33-23(22(21)30(20)29-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,23-24,31-32H,13H2,1-2H3/t18-,23-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395743
PNG
(US10308652, Example 24)
Show SMILES CCOc1ccccc1[C@H]1NC[C@@H](O)c2nc3ccc(nn3c12)-c1cnc(nc1)C(C)(C)O
Show InChI InChI=1S/C24H26N6O3/c1-4-33-18-8-6-5-7-15(18)20-22-21(17(31)13-25-20)28-19-10-9-16(29-30(19)22)14-11-26-23(27-12-14)24(2,3)32/h5-12,17,20,25,31-32H,4,13H2,1-3H3/t17-,20-/m1/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395727
PNG
((+/−)-Cis-2-(4-((6S,9S)-9-(2-(difluoromethox...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](F)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H23F3N4O2/c1-25(2,33)15-9-7-14(8-10-15)18-11-12-20-30-22-17(26)13-29-21(23(22)32(20)31-18)16-5-3-4-6-19(16)34-24(27)28/h3-12,17,21,24,29,33H,13H2,1-2H3/t17-,21-/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395782
PNG
(2-(5-(9-(2-(Difluoromethoxy)phenyl)-7,9-dihydro-6H...)
Show SMILES CC(C)(O)c1ncc(cn1)-c1ccc2nc3CCOC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H21F2N5O3/c1-23(2,31)21-26-11-13(12-27-21)15-7-8-18-28-16-9-10-32-20(19(16)30(18)29-15)14-5-3-4-6-17(14)33-22(24)25/h3-8,11-12,20,22,31H,9-10H2,1-2H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395763
PNG
(US10308652, Example 44)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H22F4N4O2/c1-24(2,35)14-5-3-13(4-6-14)18-9-10-20-31-22-19(34)12-30-21(23(22)33(20)32-18)16-8-7-15(26)11-17(16)25(27,28)29/h3-11,19,21,30,34-35H,12H2,1-2H3/t19-,21+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395758
PNG
(US10308652, Example 39)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C25H22F4N4O2/c1-24(2,35)14-5-3-13(4-6-14)18-9-10-20-31-22-19(34)12-30-21(23(22)33(20)32-18)16-8-7-15(26)11-17(16)25(27,28)29/h3-11,19,21,30,34-35H,12H2,1-2H3/t19-,21+/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395723
PNG
((+/−)-Cis and trans-9-(2-(difluoromethoxy)ph...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-25(2,33)15-9-7-14(8-10-15)17-11-12-20-29-22-18(32)13-28-21(23(22)31(20)30-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,21,24,28,32-33H,13H2,1-2H3/t18-,21-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395720
PNG
((+/−)-9-(2-(Difluoromethoxy)phenyl)-2-(6-met...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCNC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C22H19F2N5O2/c1-30-19-9-6-13(12-26-19)15-7-8-18-27-16-10-11-25-20(21(16)29(18)28-15)14-4-2-3-5-17(14)31-22(23)24/h2-9,12,20,22,25H,10-11H2,1H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395781
PNG
(2-(4-(9-(2-(Difluoromethoxy)phenyl)-7,9-dihydro-6H...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCOC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H23F2N3O3/c1-25(2,31)16-9-7-15(8-10-16)18-11-12-21-28-19-13-14-32-23(22(19)30(21)29-18)17-5-3-4-6-20(17)33-24(26)27/h3-12,23-24,31H,13-14H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395751
PNG
(US10308652, Example 32)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-14(2)33-16-9-7-15(8-10-16)18-11-12-21-29-23-19(32)13-28-22(24(23)31(21)30-18)17-5-3-4-6-20(17)34-25(26)27/h3-12,14,19,22,25,28,32H,13H2,1-2H3/t19-,22+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395757
PNG
(US10308652, Example 38)
Show SMILES Cc1cc(F)ccc1[C@@H]1NC[C@@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C25H25FN4O2/c1-14-12-17(26)8-9-18(14)22-24-23(20(31)13-27-22)28-21-11-10-19(29-30(21)24)15-4-6-16(7-5-15)25(2,3)32/h4-12,20,22,27,31-32H,13H2,1-3H3/t20-,22+/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395762
PNG
(US10308652, Example 43)
Show SMILES Cc1cc(F)ccc1[C@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C25H25FN4O2/c1-14-12-17(26)8-9-18(14)22-24-23(20(31)13-27-22)28-21-11-10-19(29-30(21)24)15-4-6-16(7-5-15)25(2,3)32/h4-12,20,22,27,31-32H,13H2,1-3H3/t20-,22+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395765
PNG
(US10308652, Example 46)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C22H19F2N5O4S/c23-22(24)33-17-4-2-1-3-14(17)19-21-20(16(30)11-26-19)27-18-10-9-15(28-29(18)21)12-5-7-13(8-6-12)34(25,31)32/h1-10,16,19,22,26,30H,11H2,(H2,25,31,32)/t16-,19+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395772
PNG
(US10308652, Example 53)
Show SMILES Cc1ccc(C)c(c1)[C@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C26H28N4O2/c1-15-5-6-16(2)19(13-15)23-25-24(21(31)14-27-23)28-22-12-11-20(29-30(22)25)17-7-9-18(10-8-17)26(3,4)32/h5-13,21,23,27,31-32H,14H2,1-4H3/t21-,23+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395783
PNG
(9-(2-(Difluoromethoxy)phenyl)-2-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1ccc2nc3CCOC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C20H17F2N5O2/c1-26-11-12(10-23-26)14-6-7-17-24-15-8-9-28-19(18(15)27(17)25-14)13-4-2-3-5-16(13)29-20(21)22/h2-7,10-11,19-20H,8-9H2,1H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395734
PNG
(US10308652, Example 15)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-25(2,33)15-9-7-14(8-10-15)17-11-12-20-29-22-18(32)13-28-21(23(22)31(20)30-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,21,24,28,32-33H,13H2,1-2H3/t18-,21+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395746
PNG
(US10308652, Example 27)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-14(2)33-16-9-7-15(8-10-16)18-11-12-21-29-23-19(32)13-28-22(24(23)31(21)30-18)17-5-3-4-6-20(17)34-25(26)27/h3-12,14,19,22,25,28,32H,13H2,1-2H3/t19-,22+/m1/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395750
PNG
(US10308652, Example 31)
Show SMILES CCC(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H22F2N4O3/c1-2-18(32)15-9-7-14(8-10-15)17-11-12-21-29-23-19(33)13-28-22(24(23)31(21)30-17)16-5-3-4-6-20(16)34-25(26)27/h3-12,19,22,25,28,33H,2,13H2,1H3/t19-,22+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395756
PNG
(US10308652, Example 37)
Show SMILES COc1ccccc1COc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C30H26F2N4O4/c1-38-24-8-4-2-6-19(24)17-39-20-12-10-18(11-13-20)22-14-15-26-34-28-23(37)16-33-27(29(28)36(26)35-22)21-7-3-5-9-25(21)40-30(31)32/h2-15,23,27,30,33,37H,16-17H2,1H3/t23-,27+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395769
PNG
(US10308652, Example 50)
Show SMILES CCC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H26F2N4O3/c1-3-26(2,34)16-10-8-15(9-11-16)18-12-13-21-30-23-19(33)14-29-22(24(23)32(21)31-18)17-6-4-5-7-20(17)35-25(27)28/h4-13,19,22,25,29,33-34H,3,14H2,1-2H3/t19-,22+,26?/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395741
PNG
(US10308652, Example 22)
Show SMILES OC1CNC(c2c1nc1ccc(nn21)-c1cnc(nc1)N1CCN(CC(O)=O)CC1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H26F2N8O4/c27-25(28)40-19-4-2-1-3-16(19)22-24-23(18(37)13-29-22)32-20-6-5-17(33-36(20)24)15-11-30-26(31-12-15)35-9-7-34(8-10-35)14-21(38)39/h1-6,11-12,18,22,25,29,37H,7-10,13-14H2,(H,38,39)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395744
PNG
(US10308652, Example 25)
Show SMILES COc1cc(F)ccc1[C@@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C25H25FN4O3/c1-25(2,32)15-6-4-14(5-7-15)18-10-11-21-28-23-19(31)13-27-22(24(23)30(21)29-18)17-9-8-16(26)12-20(17)33-3/h4-12,19,22,27,31-32H,13H2,1-3H3/t19-,22-/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395759
PNG
(US10308652, Example 40)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H21F2N5O4S/c1-26-35(32,33)14-8-6-13(7-9-14)16-10-11-19-28-21-17(31)12-27-20(22(21)30(19)29-16)15-4-2-3-5-18(15)34-23(24)25/h2-11,17,20,23,26-27,31H,12H2,1H3/t17-,20+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395771
PNG
(US10308652, Example 52)
Show SMILES CC(C)(O)COc1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H26F2N4O4/c1-26(2,34)14-35-16-9-7-15(8-10-16)18-11-12-21-30-23-19(33)13-29-22(24(23)32(21)31-18)17-5-3-4-6-20(17)36-25(27)28/h3-12,19,22,25,29,33-34H,13-14H2,1-2H3/t19-,22+/m1/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395779
PNG
(9-(2-(Difluoromethoxy)phenyl)-2-(4-(2-hydroxypropa...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3c(C(OCC3(O)c3ccncc3)c3ccccc3OC(F)F)n2n1
Show InChI InChI=1S/C30H26F2N4O4/c1-29(2,37)19-9-7-18(8-10-19)22-11-12-24-34-27-25(36(24)35-22)26(21-5-3-4-6-23(21)40-28(31)32)39-17-30(27,38)20-13-15-33-16-14-20/h3-16,26,28,37-38H,17H2,1-2H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395723
PNG
((+/−)-Cis and trans-9-(2-(difluoromethoxy)ph...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-25(2,33)15-9-7-14(8-10-15)17-11-12-20-29-22-18(32)13-28-21(23(22)31(20)30-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,21,24,28,32-33H,13H2,1-2H3/t18-,21-/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395774
PNG
(US10308652, Example 55)
Show SMILES CCC(O)(CC)c1ccc(cc1Cl)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1cc(Cl)ccc1C(F)(F)F
Show InChI InChI=1S/C27H25Cl2F3N4O2/c1-3-26(38,4-2)18-7-5-14(11-19(18)29)20-9-10-22-34-24-21(37)13-33-23(25(24)36(22)35-20)16-12-15(28)6-8-17(16)27(30,31)32/h5-12,21,23,33,37-38H,3-4,13H2,1-2H3/t21-,23+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395748
PNG
(US10308652, Example 29 | US10308652, Example 42)
Show SMILES CC(C)(C)COc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C27H28F2N4O3/c1-27(2,3)15-35-17-10-8-16(9-11-17)19-12-13-22-31-24-20(34)14-30-23(25(24)33(22)32-19)18-6-4-5-7-21(18)36-26(28)29/h4-13,20,23,26,30,34H,14-15H2,1-3H3/t20-,23+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395747
PNG
(US10308652, Example 28)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H23ClF2N4O3/c1-25(2,34)14-5-3-13(4-6-14)17-8-10-20-30-22-18(33)12-29-21(23(22)32(20)31-17)16-11-15(26)7-9-19(16)35-24(27)28/h3-11,18,21,24,29,33-34H,12H2,1-2H3/t18-,21+/m1/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395738
PNG
(US10308652, Example 19)
Show SMILES OC1CNC(c2c1nc1ccc(nn21)-c1ccc(cc1)C(=O)N1CCOCC1)c1ccccc1OC(F)F
Show InChI InChI=1S/C27H25F2N5O4/c28-27(29)38-21-4-2-1-3-18(21)23-25-24(20(35)15-30-23)31-22-10-9-19(32-34(22)25)16-5-7-17(8-6-16)26(36)33-11-13-37-14-12-33/h1-10,20,23,27,30,35H,11-15H2
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395728
PNG
(US10308652, Example 9)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CNC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H23F3N4O2/c1-25(2,33)15-9-7-14(8-10-15)18-11-12-20-30-22-17(26)13-29-21(23(22)32(20)31-18)16-5-3-4-6-19(16)34-24(27)28/h3-12,17,21,24,29,33H,13H2,1-2H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395776
PNG
(Rac-(6S,9S)-9-(2-(difluoromethoxy)phenyl)-2-(4-(2-...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CO[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H23F2N3O4/c1-25(2,32)15-9-7-14(8-10-15)17-11-12-20-28-21-18(31)13-33-23(22(21)30(20)29-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,23-24,31-32H,13H2,1-2H3/t18-,23+/m1/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395775
PNG
(US10308652, Example 56)
Show SMILES COc1ccc(Cl)cc1[C@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C25H25ClN4O3/c1-25(2,32)15-6-4-14(5-7-15)18-9-11-21-28-23-19(31)13-27-22(24(23)30(21)29-18)17-12-16(26)8-10-20(17)33-3/h4-12,19,22,27,31-32H,13H2,1-3H3/t19-,22+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395773
PNG
(US10308652, Example 54)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H23ClF2N4O3/c1-25(2,34)14-5-3-13(4-6-14)17-8-10-20-30-22-18(33)12-29-21(23(22)32(20)31-17)16-11-15(26)7-9-19(16)35-24(27)28/h3-11,18,21,24,29,33-34H,12H2,1-2H3/t18-,21+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395760
PNG
(US10308652, Example 41)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H20F2N4O4S/c1-34(31,32)14-8-6-13(7-9-14)16-10-11-19-27-21-17(30)12-26-20(22(21)29(19)28-16)15-4-2-3-5-18(15)33-23(24)25/h2-11,17,20,23,26,30H,12H2,1H3/t17-,20+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395778
PNG
(9-(2-(Difluoromethoxy)phenyl)-2-(4-(2-hydroxypropa...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3c(C(OCC3(C)O)c3ccccc3OC(F)F)n2n1
Show InChI InChI=1S/C26H25F2N3O4/c1-25(2,32)16-10-8-15(9-11-16)18-12-13-20-29-23-21(31(20)30-18)22(34-14-26(23,3)33)17-6-4-5-7-19(17)35-24(27)28/h4-13,22,24,32-33H,14H2,1-3H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395768
PNG
(US10308652, Example 49)
Show SMILES CCC(O)(CC)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C27H28F2N4O3/c1-3-27(35,4-2)17-11-9-16(10-12-17)19-13-14-22-31-24-20(34)15-30-23(25(24)33(22)32-19)18-7-5-6-8-21(18)36-26(28)29/h5-14,20,23,26,30,34-35H,3-4,15H2,1-2H3/t20-,23+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395766
PNG
(US10308652, Example 47)
Show SMILES O[C@H]1CN[C@@H](c2c1nc1ccc(nn21)-c1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1ccccc1OC(F)F
Show InChI InChI=1S/C27H24ClF2N5O4/c28-18-13-15(5-6-16(18)26(37)34-9-11-38-12-10-34)19-7-8-22-32-24-20(36)14-31-23(25(24)35(22)33-19)17-3-1-2-4-21(17)39-27(29)30/h1-8,13,20,23,27,31,36H,9-12,14H2/t20-,23+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395755
PNG
(US10308652, Example 36)
Show SMILES O[C@H]1CN[C@@H](c2c1nc1ccc(nn21)-c1ccc(cc1)C1(O)CC1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H22F2N4O3/c26-24(27)34-19-4-2-1-3-16(19)21-23-22(18(32)13-28-21)29-20-10-9-17(30-31(20)23)14-5-7-15(8-6-14)25(33)11-12-25/h1-10,18,21,24,28,32-33H,11-13H2/t18-,21+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395753
PNG
(US10308652, Example 34)
Show SMILES CCCOc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-2-13-33-16-9-7-15(8-10-16)18-11-12-21-29-23-19(32)14-28-22(24(23)31(21)30-18)17-5-3-4-6-20(17)34-25(26)27/h3-12,19,22,25,28,32H,2,13-14H2,1H3/t19-,22-/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395740
PNG
(US10308652, Example 21)
Show SMILES OC1CNC(c2c1nc1ccc(nn21)-c1ccc(nc1)C(=O)NC1CC1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H22F2N6O3/c26-25(27)36-19-4-2-1-3-15(19)21-23-22(18(34)12-29-21)31-20-10-9-16(32-33(20)23)13-5-8-17(28-11-13)24(35)30-14-6-7-14/h1-5,8-11,14,18,21,25,29,34H,6-7,12H2,(H,30,35)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395736
PNG
(US10308652, Example 17)
Show SMILES CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(O)CNC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H22F2N6O3/c1-23(2,33)21-27-9-12(10-28-21)14-7-8-17-29-19-15(32)11-26-18(20(19)31(17)30-14)13-5-3-4-6-16(13)34-22(24)25/h3-10,15,18,22,26,32-33H,11H2,1-2H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395729
PNG
(US10308652, Example 10)
Show SMILES CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(F)CNC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H21F3N6O2/c1-23(2,33)21-28-9-12(10-29-21)15-7-8-17-30-19-14(24)11-27-18(20(19)32(17)31-15)13-5-3-4-6-16(13)34-22(25)26/h3-10,14,18,22,27,33H,11H2,1-2H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395735
PNG
(US10308652, Example 16)
Show SMILES CC(=O)c1ccc(cn1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H19F2N5O3/c1-12(31)15-7-6-13(10-26-15)16-8-9-19-28-21-17(32)11-27-20(22(21)30(19)29-16)14-4-2-3-5-18(14)33-23(24)25/h2-10,17,20,23,27,32H,11H2,1H3/t17-,20+/m1/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395764
PNG
(US10308652, Example 45)
Show SMILES O[C@H]1CN[C@@H](c2c1nc1ccc(nn21)-c1ccc(cc1)N1CCOCC1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H25F2N5O3/c27-26(28)36-21-4-2-1-3-18(21)23-25-24(20(34)15-29-23)30-22-10-9-19(31-33(22)25)16-5-7-17(8-6-16)32-11-13-35-14-12-32/h1-10,20,23,26,29,34H,11-15H2/t20-,23+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395754
PNG
(US10308652, Example 35)
Show SMILES CCOC(C)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H26F2N4O3/c1-3-34-15(2)16-8-10-17(11-9-16)19-12-13-22-30-24-20(33)14-29-23(25(24)32(22)31-19)18-6-4-5-7-21(18)35-26(27)28/h4-13,15,20,23,26,29,33H,3,14H2,1-2H3/t15?,20-,23+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395749
PNG
(US10308652, Example 30)
Show SMILES COc1cc(ccc1OCC(C)(C)C)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C28H30F2N4O4/c1-28(2,3)15-37-21-11-9-16(13-22(21)36-4)18-10-12-23-32-25-19(35)14-31-24(26(25)34(23)33-18)17-7-5-6-8-20(17)38-27(29)30/h5-13,19,24,27,31,35H,14-15H2,1-4H3/t19-,24+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395742
PNG
(US10308652, Example 23)
Show SMILES COc1cc(F)ccc1C1NCC(O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C25H25FN4O3/c1-25(2,32)15-6-4-14(5-7-15)18-10-11-21-28-23-19(31)13-27-22(24(23)30(21)29-18)17-9-8-16(26)12-20(17)33-3/h4-12,19,22,27,31-32H,13H2,1-3H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395733
PNG
(US10308652, Example 14)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-25(2,33)15-9-7-14(8-10-15)17-11-12-20-29-22-18(32)13-28-21(23(22)31(20)30-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,21,24,28,32-33H,13H2,1-2H3/t18-,21+/m1/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395722
PNG
((+/−)-2-(5-(9-(2-(Difluoromethoxy)phenyl)-6,...)
Show SMILES CC(C)(O)c1ncc(cn1)-c1ccc2nc3CCNC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H22F2N6O2/c1-23(2,32)21-27-11-13(12-28-21)15-7-8-18-29-16-9-10-26-19(20(16)31(18)30-15)14-5-3-4-6-17(14)33-22(24)25/h3-8,11-12,19,22,26,32H,9-10H2,1-2H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395723
PNG
((+/−)-Cis and trans-9-(2-(difluoromethoxy)ph...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C25H24F2N4O3/c1-25(2,33)15-9-7-14(8-10-15)17-11-12-20-29-22-18(32)13-28-21(23(22)31(20)30-17)16-5-3-4-6-19(16)34-24(26)27/h3-12,18,21,24,28,32-33H,13H2,1-2H3/t18-,21-/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395737
PNG
(US10308652, Example 18)
Show SMILES OC1CNC(c2c1nc1ccc(nn21)-c1ccc(cc1)C(=O)N1CC(C1)C(O)=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C27H23F2N5O5/c28-27(29)39-20-4-2-1-3-17(20)22-24-23(19(35)11-30-22)31-21-10-9-18(32-34(21)24)14-5-7-15(8-6-14)25(36)33-12-16(13-33)26(37)38/h1-10,16,19,22,27,30,35H,11-13H2,(H,37,38)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395780
PNG
(Cis-9-(2-(difluoromethoxy)phenyl)-2-(2-(2-hydroxyp...)
Show SMILES CC(C)(O)c1ncc(cn1)-c1ccc2nc3[C@@H](O)CO[C@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H21F2N5O4/c1-23(2,32)21-26-9-12(10-27-21)14-7-8-17-28-18-15(31)11-33-20(19(18)30(17)29-14)13-5-3-4-6-16(13)34-22(24)25/h3-10,15,20,22,31-32H,11H2,1-2H3/t15-,20-/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395770
PNG
(US10308652, Example 51)
Show SMILES COc1ccc(cn1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C22H19F2N5O3/c1-31-18-9-6-12(10-25-18)14-7-8-17-27-20-15(30)11-26-19(21(20)29(17)28-14)13-4-2-3-5-16(13)32-22(23)24/h2-10,15,19,22,26,30H,11H2,1H3/t15-,19+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395730
PNG
(US10308652, Example 11)
Show SMILES COc1ccc(cn1)-c1ccc2nc3C(F)CNC(c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C22H18F3N5O2/c1-31-18-9-6-12(10-26-18)15-7-8-17-28-20-14(23)11-27-19(21(20)30(17)29-15)13-4-2-3-5-16(13)32-22(24)25/h2-10,14,19,22,27H,11H2,1H3
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395739
PNG
(US10308652, Example 20)
Show SMILES OC1CNC(c2c1nc1ccc(nn21)-c1ccc(cc1)C(=O)NC1CC1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H23F2N5O3/c27-26(28)36-20-4-2-1-3-17(20)22-24-23(19(34)13-29-22)31-21-12-11-18(32-33(21)24)14-5-7-15(8-6-14)25(35)30-16-9-10-16/h1-8,11-12,16,19,22,26,29,34H,9-10,13H2,(H,30,35)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM395767
PNG
(US10308652, Example 48)
Show SMILES NC(=O)c1ccc(cc1Cl)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H18ClF2N5O3/c24-14-9-11(5-6-12(14)22(27)33)15-7-8-18-29-20-16(32)10-28-19(21(20)31(18)30-15)13-3-1-2-4-17(13)34-23(25)26/h1-9,16,19,23,28,32H,10H2,(H2,27,33)/t16-,19+/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...


US Patent US10308652 (2019)


BindingDB Entry DOI: 10.7270/Q2N018VD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%