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Patent code US10112944

Compile Data Set for Download or QSAR
Found 41 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))
BDBM296829
PNG
(1-(2,5-Dimethylphenyl)-7-methyl-8-(1-methyl-1H-pyr...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3cc(C)c(cn3c12)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N5/c1-15-7-8-16(2)21(10-15)27-9-5-6-20-23(27)28-14-19(17(3)11-22(28)25-20)18-12-24-26(4)13-18/h7-8,10-14H,5-6,9H2,1-4H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296852
PNG
(1-(4-Fluoro-2-methylphenyl)-8-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccc(F)cc1C
Show InChI InChI=1S/C23H21FN4O/c1-15-12-18(24)7-8-20(15)27-11-3-4-19-23(27)28-14-17(5-9-21(28)26-19)16-6-10-22(29-2)25-13-16/h5-10,12-14H,3-4,11H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296836
PNG
(8-(6-Methoxypyridin-3-yl)-1-(2-(trifluoromethoxy)p...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2/c1-31-21-11-9-15(13-27-21)16-8-10-20-28-17-5-4-12-29(22(17)30(20)14-16)18-6-2-3-7-19(18)32-23(24,25)26/h2-3,6-11,13-14H,4-5,12H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296838
PNG
(1-(2,5-Dimethylphenyl)-8-(1-methyl-1H-pyrazol-4-yl...)
Show SMILES CC1CCN(c2c1nc1ccc(cn21)-c1cnn(C)c1)c1cc(C)ccc1C
Show InChI InChI=1S/C23H25N5/c1-15-5-6-16(2)20(11-15)27-10-9-17(3)22-23(27)28-14-18(7-8-21(28)25-22)19-12-24-26(4)13-19/h5-8,11-14,17H,9-10H2,1-4H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296847
PNG
(2-(5-(7-Chloro-1-phenyl-1,2,3,4-tetrahydroimidazo[...)
Show SMILES CC(C)(O)c1ncc(cn1)-c1cn2c3N(CCCc3nc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C23H22ClN5O/c1-23(2,30)22-25-12-15(13-26-22)17-14-29-20(11-18(17)24)27-19-9-6-10-28(21(19)29)16-7-4-3-5-8-16/h3-5,7-8,11-14,30H,6,9-10H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296851
PNG
(1-(5-Fluoro-2-methylphenyl)-8-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(F)ccc1C
Show InChI InChI=1S/C23H21FN4O/c1-15-5-8-18(24)12-20(15)27-11-3-4-19-23(27)28-14-17(6-9-21(28)26-19)16-7-10-22(29-2)25-13-16/h5-10,12-14H,3-4,11H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296857
PNG
(1-(2-Chlorophenyl)-8-(6-methoxypyridin-3-yl)-1,2,3...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN4O/c1-28-21-11-9-15(13-24-21)16-8-10-20-25-18-6-4-12-26(22(18)27(20)14-16)19-7-3-2-5-17(19)23/h2-3,5,7-11,13-14H,4,6,12H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296835
PNG
(8-(6-Methoxypyridin-3-yl)-1-(o-tolyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1C
Show InChI InChI=1S/C23H22N4O/c1-16-6-3-4-8-20(16)26-13-5-7-19-23(26)27-15-18(9-11-21(27)25-19)17-10-12-22(28-2)24-14-17/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296854
PNG
(1-(2-Ethylphenyl)-8-(6-methoxypyridin-3-yl)-1,2,3,...)
Show SMILES CCc1ccccc1N1CCCc2nc3ccc(cn3c12)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H24N4O/c1-3-17-7-4-5-9-21(17)27-14-6-8-20-24(27)28-16-19(10-12-22(28)26-20)18-11-13-23(29-2)25-15-18/h4-5,7,9-13,15-16H,3,6,8,14H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296833
PNG
(1-(2-Methoxy-5-methylphenyl)-8-(6-methoxypyridin-3...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1OC
Show InChI InChI=1S/C24H24N4O2/c1-16-6-9-21(29-2)20(13-16)27-12-4-5-19-24(27)28-15-18(7-10-22(28)26-19)17-8-11-23(30-3)25-14-17/h6-11,13-15H,4-5,12H2,1-3H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296841
PNG
(4-(5-(1-(2-(Difluoromethoxy)phenyl)-1,2,3,4-tetrah...)
Show SMILES FC(F)Oc1ccccc1N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C25H24F2N6O2/c26-24(27)35-21-6-2-1-5-20(21)32-9-3-4-19-23(32)33-16-17(7-8-22(33)30-19)18-14-28-25(29-15-18)31-10-12-34-13-11-31/h1-2,5-8,14-16,24H,3-4,9-13H2
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296845
PNG
(4-(5-(1-(2-(Difluoromethoxy)-5-methylphenyl)-1,2,3...)
Show SMILES Cc1ccc(OC(F)F)c(c1)N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H26F2N6O2/c1-17-4-6-22(36-25(27)28)21(13-17)33-8-2-3-20-24(33)34-16-18(5-7-23(34)31-20)19-14-29-26(30-15-19)32-9-11-35-12-10-32/h4-7,13-16,25H,2-3,8-12H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296842
PNG
(2-(4-(1-(2,5-Dimethylphenyl)-1,2,3,4-tetrahydroimi...)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1C
Show InChI InChI=1S/C27H25N5O/c1-17-6-7-18(2)24(15-17)31-14-4-5-23-27(31)32-16-22(12-13-25(32)28-23)20-8-10-21(11-9-20)26-30-29-19(3)33-26/h6-13,15-16H,4-5,14H2,1-3H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296838
PNG
(1-(2,5-Dimethylphenyl)-8-(1-methyl-1H-pyrazol-4-yl...)
Show SMILES CC1CCN(c2c1nc1ccc(cn21)-c1cnn(C)c1)c1cc(C)ccc1C
Show InChI InChI=1S/C23H25N5/c1-15-5-6-16(2)20(11-15)27-10-9-17(3)22-23(27)28-14-18(7-8-21(28)25-22)19-12-24-26(4)13-19/h5-8,11-14,17H,9-10H2,1-4H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296840
PNG
(4-(5-(1-(2,5-Dimethylphenyl)-1,2,3,4-tetrahydroimi...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H28N6O/c1-18-5-6-19(2)23(14-18)31-9-3-4-22-25(31)32-17-20(7-8-24(32)29-22)21-15-27-26(28-16-21)30-10-12-33-13-11-30/h5-8,14-17H,3-4,9-13H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296840
PNG
(4-(5-(1-(2,5-Dimethylphenyl)-1,2,3,4-tetrahydroimi...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H28N6O/c1-18-5-6-19(2)23(14-18)31-9-3-4-22-25(31)32-17-20(7-8-24(32)29-22)21-15-27-26(28-16-21)30-10-12-33-13-11-30/h5-8,14-17H,3-4,9-13H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296864
PNG
(1-(2-(Difluoromethoxy)phenyl)-8-(6-methoxypyridin-...)
Show SMILES CC1CCN(c2c1nc1ccc(cn21)-c1ccc(CO)nc1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C24H21F3N4O2/c1-15-10-11-30(19-4-2-3-5-20(19)33-24(25,26)27)23-22(15)29-21-9-7-17(13-31(21)23)16-6-8-18(14-32)28-12-16/h2-9,12-13,15,32H,10-11,14H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296831
PNG
(1-(2,5-Dimethylphenyl)-8-(6-methoxypyridin-3-yl)-1...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1ccc(CO)nc1
Show InChI InChI=1S/C24H24N4O/c1-16-5-6-17(2)22(12-16)27-11-3-4-21-24(27)28-14-19(8-10-23(28)26-21)18-7-9-20(15-29)25-13-18/h5-10,12-14,29H,3-4,11,15H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296833
PNG
(1-(2-Methoxy-5-methylphenyl)-8-(6-methoxypyridin-3...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1OC
Show InChI InChI=1S/C24H24N4O2/c1-16-6-9-21(29-2)20(13-16)27-12-4-5-19-24(27)28-15-18(7-10-22(28)26-19)17-8-11-23(30-3)25-14-17/h6-11,13-15H,4-5,12H2,1-3H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296839
PNG
(1-(2-(Difluoromethoxy)phenyl)-8-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F
Show InChI InChI=1S/C21H19F2N5O/c1-26-12-15(11-24-26)14-8-9-19-25-16-5-4-10-27(20(16)28(19)13-14)17-6-2-3-7-18(17)29-21(22)23/h2-3,6-9,11-13,21H,4-5,10H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296832
PNG
(1-(2-(Difluoromethoxy)phenyl)-8-(6-methoxypyridin-...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H20F2N4O2/c1-30-21-11-9-15(13-26-21)16-8-10-20-27-17-5-4-12-28(22(17)29(20)14-16)18-6-2-3-7-19(18)31-23(24)25/h2-3,6-11,13-14,23H,4-5,12H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296843
PNG
(2-(4-(1-(2-(Difluoromethoxy)phenyl)-1,2,3,4-tetrah...)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H21F2N5O2/c1-16-30-31-24(34-16)18-10-8-17(9-11-18)19-12-13-23-29-20-5-4-14-32(25(20)33(23)15-19)21-6-2-3-7-22(21)35-26(27)28/h2-3,6-13,15,26H,4-5,14H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296836
PNG
(8-(6-Methoxypyridin-3-yl)-1-(2-(trifluoromethoxy)p...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2/c1-31-21-11-9-15(13-27-21)16-8-10-20-28-17-5-4-12-29(22(17)30(20)14-16)18-6-2-3-7-19(18)32-23(24,25)26/h2-3,6-11,13-14H,4-5,12H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296861
PNG
(2-(4-(1-(2-(Difluoromethoxy)phenyl)-1,2,3,4-tetrah...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F
Show InChI InChI=1S/C26H25F2N3O2/c1-26(2,32)19-12-9-17(10-13-19)18-11-14-23-29-20-6-5-15-30(24(20)31(23)16-18)21-7-3-4-8-22(21)33-25(27)28/h3-4,7-14,16,25,32H,5-6,15H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296866
PNG
(1-(2-(Difluoromethoxy)phenyl)-4-methyl-8-(1-methyl...)
Show SMILES CC1CCN(c2c1nc1ccc(cn21)-c1cnn(C)c1)c1ccccc1OC(F)F
Show InChI InChI=1S/C22H21F2N5O/c1-14-9-10-28(17-5-3-4-6-18(17)30-22(23)24)21-20(14)26-19-8-7-15(13-29(19)21)16-11-25-27(2)12-16/h3-8,11-14,22H,9-10H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296828
PNG
(1-(2-(Difluoromethoxy)phenyl)-8-(6-methoxypyridin-...)
Show SMILES Cc1cc2nc3CCCN(c3n2cc1-c1ccc(CO)nc1)c1ccccc1OC(F)F
Show InChI InChI=1S/C24H22F2N4O2/c1-15-11-22-28-19-5-4-10-29(20-6-2-3-7-21(20)32-24(25)26)23(19)30(22)13-18(15)16-8-9-17(14-31)27-12-16/h2-3,6-9,11-13,24,31H,4-5,10,14H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296844
PNG
(2-(5-(1-(2,5-Dimethylphenyl)-1,2,3,4-tetrahydroimi...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)C(C)(C)O
Show InChI InChI=1S/C25H27N5O/c1-16-7-8-17(2)21(12-16)29-11-5-6-20-23(29)30-15-18(9-10-22(30)28-20)19-13-26-24(27-14-19)25(3,4)31/h7-10,12-15,31H,5-6,11H2,1-4H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296846
PNG
(1-(2-(Difluoromethoxy)-5-methylphenyl)-8-(6-methox...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1OC(F)F
Show InChI InChI=1S/C24H22F2N4O2/c1-15-5-8-20(32-24(25)26)19(12-15)29-11-3-4-18-23(29)30-14-17(6-9-21(30)28-18)16-7-10-22(31-2)27-13-16/h5-10,12-14,24H,3-4,11H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296858
PNG
(1-(5-Chloro-2-methylphenyl)-8-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C23H21ClN4O/c1-15-5-8-18(24)12-20(15)27-11-3-4-19-23(27)28-14-17(6-9-21(28)26-19)16-7-10-22(29-2)25-13-16/h5-10,12-14H,3-4,11H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296860
PNG
(2-(5-(1-(2-(Difluoromethoxy)phenyl)-1,2,3,4-tetrah...)
Show SMILES CC(C)(O)c1ncc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-23(2,33)22-28-12-16(13-29-22)15-9-10-20-30-17-6-5-11-31(21(17)32(20)14-15)18-7-3-4-8-19(18)34-24(25,26)27/h3-4,7-10,12-14,33H,5-6,11H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296863
PNG
(1-(2,5-Dimethylphenyl)-8-(6-methoxypyridin-3-yl)-4...)
Show SMILES CC1CCN(c2c1nc1ccc(cn21)-c1ccc(CO)nc1)c1cc(C)ccc1C
Show InChI InChI=1S/C25H26N4O/c1-16-4-5-17(2)22(12-16)28-11-10-18(3)24-25(28)29-14-20(7-9-23(29)27-24)19-6-8-21(15-30)26-13-19/h4-9,12-14,18,30H,10-11,15H2,1-3H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296856
PNG
(1-(2,4-Dimethylphenyl)-8-(6-methoxypyridin-3-yl)-1...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccc(C)cc1C
Show InChI InChI=1S/C24H24N4O/c1-16-6-9-21(17(2)13-16)27-12-4-5-20-24(27)28-15-19(7-10-22(28)26-20)18-8-11-23(29-3)25-14-18/h6-11,13-15H,4-5,12H2,1-3H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296850
PNG
(1-(2,3-Dimethylphenyl)-8-(6-methoxypyridin-3-yl)-1...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cccc(C)c1C
Show InChI InChI=1S/C24H24N4O/c1-16-6-4-8-21(17(16)2)27-13-5-7-20-24(27)28-15-19(9-11-22(28)26-20)18-10-12-23(29-3)25-14-18/h4,6,8-12,14-15H,5,7,13H2,1-3H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296849
PNG
(7-Chloro-1-(2,5-dimethylphenyl)-8-(6-methoxypyridi...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1C
Show InChI InChI=1S/C24H24N4O/c1-16-6-7-17(2)21(13-16)27-12-4-5-20-24(27)28-15-19(8-10-22(28)26-20)18-9-11-23(29-3)25-14-18/h6-11,13-15H,4-5,12H2,1-3H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296848
PNG
(7-Chloro-1-(2-(difluoromethoxy)phenyl)-8-(6-methox...)
Show SMILES COc1ccc(cn1)-c1cn2c3N(CCCc3nc2cc1Cl)c1ccccc1OC(F)F
Show InChI InChI=1S/C23H19ClF2N4O2/c1-31-21-9-8-14(12-27-21)15-13-30-20(11-16(15)24)28-17-5-4-10-29(22(17)30)18-6-2-3-7-19(18)32-23(25)26/h2-3,6-9,11-13,23H,4-5,10H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296862
PNG
(2-(4-(1-(2,5-Dimethylphenyl)-1,2,3,4-tetrahydroimi...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C27H29N3O/c1-18-7-8-19(2)24(16-18)29-15-5-6-23-26(29)30-17-21(11-14-25(30)28-23)20-9-12-22(13-10-20)27(3,4)31/h7-14,16-17,31H,5-6,15H2,1-4H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296830
PNG
(1-(2-(Difluoromethoxy)phenyl)-7-methyl-8-(1-methyl...)
Show SMILES Cc1cc2nc3CCCN(c3n2cc1-c1cnn(C)c1)c1ccccc1OC(F)F
Show InChI InChI=1S/C22H21F2N5O/c1-14-10-20-26-17-6-5-9-28(18-7-3-4-8-19(18)30-22(23)24)21(17)29(20)13-16(14)15-11-25-27(2)12-15/h3-4,7-8,10-13,22H,5-6,9H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296834
PNG
(1-(Isoquinolin-1-yl)-8-(6-methoxypyridin-3-yl)-1,2...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1nccc2ccccc12
Show InChI InChI=1S/C25H21N5O/c1-31-23-11-9-18(15-27-23)19-8-10-22-28-21-7-4-14-29(25(21)30(22)16-19)24-20-6-3-2-5-17(20)12-13-26-24/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296837
PNG
(8-(6-Methoxypyridin-3-yl)-1-(2-methyl-5-(trifluoro...)
Show SMILES COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(ccc1C)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O/c1-15-5-8-18(24(25,26)27)12-20(15)30-11-3-4-19-23(30)31-14-17(6-9-21(31)29-19)16-7-10-22(32-2)28-13-16/h5-10,12-14H,3-4,11H2,1-2H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296867
PNG
(4-(5-(1-(2,5-Dimethylphenyl)-6,7-dimethyl-1,2,3,4-...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3c(C)c(C)c(cn3c12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C28H32N6O/c1-18-7-8-19(2)25(14-18)33-9-5-6-24-27(33)34-17-23(20(3)21(4)26(34)31-24)22-15-29-28(30-16-22)32-10-12-35-13-11-32/h7-8,14-17H,5-6,9-13H2,1-4H3
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Bristol-Myers Squibb Company

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 US10112944 (2018)

More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM296827
PNG
(1-(2,5-Dimethylphenyl)-8-(6-methoxypyridin-3-yl)-7...)
Show SMILES Cc1ccc(C)c(c1)N1CCCc2nc3cc(C)c(cn3c12)-c1ccc(CO)nc1
Show InChI InChI=1S/C25H26N4O/c1-16-6-7-17(2)23(11-16)28-10-4-5-22-25(28)29-14-21(18(3)12-24(29)27-22)19-8-9-20(15-30)26-13-19/h6-9,11-14,30H,4-5,10,15H2,1-3H3
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US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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 US10112944 (2018)

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