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Patent code US10138222

Compile Data Set for Download or QSAR
Found 122 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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303361
PNG
(US10138222, Example 76)
Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H30N6O/c1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32)
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n/an/a 0.610n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303369
PNG
(US10138222, Example 94)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303360
PNG
(US10138222, Example 75)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CC3CCC(C2)N3C2COC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C29H33FN6O2/c1-17-6-28(30)27(29(37)34-19-2-3-19)10-26(17)18-11-32-35(14-18)24-9-21(12-31-13-24)33-20-7-22-4-5-23(8-20)36(22)25-15-38-16-25/h6,9-14,19-20,22-23,25,33H,2-5,7-8,15-16H2,1H3,(H,34,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303438
PNG
(US10138222, Example 166)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCOC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C28H34N6O2/c1-19-2-3-20(28(35)32-22-4-5-22)12-27(19)21-14-30-34(17-21)26-13-24(15-29-16-26)31-23-6-9-33(10-7-23)25-8-11-36-18-25/h2-3,12-17,22-23,25,31H,4-11,18H2,1H3,(H,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303440
PNG
(US10138222, Example 168)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3COCCO3)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C29H36N6O3/c1-20-2-3-21(29(36)33-23-4-5-23)12-28(20)22-14-31-35(17-22)26-13-25(15-30-16-26)32-24-6-8-34(9-7-24)18-27-19-37-10-11-38-27/h2-3,12-17,23-24,27,32H,4-11,18-19H2,1H3,(H,33,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303380
PNG
(US10138222, Example 105)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H21FN4O/c1-13-6-21(23)20(22(28)26-17-4-5-17)8-19(13)16-10-25-27(12-16)18-7-15(9-24-11-18)14-2-3-14/h6-12,14,17H,2-5H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303359
PNG
(US10138222, Example 74)
Show SMILES COCCN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Show InChI InChI=1S/C27H33FN6O2/c1-18-11-26(28)25(27(35)32-20-3-4-20)13-24(18)19-14-30-34(17-19)23-12-22(15-29-16-23)31-21-5-7-33(8-6-21)9-10-36-2/h11-17,20-21,31H,3-10H2,1-2H3,(H,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303439
PNG
(US10138222, Example 167)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3C4COCC34)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C30H36N6O2/c1-19-2-3-20(30(37)34-22-4-5-22)10-26(19)21-12-32-36(15-21)25-11-24(13-31-14-25)33-23-6-8-35(9-7-23)16-27-28-17-38-18-29(27)28/h2-3,10-15,22-23,27-29,33H,4-9,16-18H2,1H3,(H,34,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303435
PNG
(US10138222, Example 163)
Show SMILES COC1COCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C30H38N6O3/c1-20-3-4-21(30(37)34-23-5-6-23)13-27(20)22-15-32-36(18-22)26-14-25(16-31-17-26)33-24-7-10-35(11-8-24)28-9-12-39-19-29(28)38-2/h3-4,13-18,23-24,28-29,33H,5-12,19H2,1-2H3,(H,34,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303355
PNG
(US10138222, Example 68)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C27H31FN6O2/c1-17-8-26(28)25(27(35)32-19-2-3-19)10-24(17)18-11-30-34(14-18)22-9-21(12-29-13-22)31-20-4-6-33(7-5-20)23-15-36-16-23/h8-14,19-20,23,31H,2-7,15-16H2,1H3,(H,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303432
PNG
(US10138222, Example 160)
Show SMILES COC1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C31H40N6O2/c1-21-3-4-22(31(38)35-24-5-6-24)15-30(21)23-17-33-37(20-23)28-16-26(18-32-19-28)34-25-11-13-36(14-12-25)27-7-9-29(39-2)10-8-27/h3-4,15-20,24-25,27,29,34H,5-14H2,1-2H3,(H,35,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303362
PNG
(US10138222, Example 77)
Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Show InChI InChI=1S/C25H29FN6O/c1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h9-15,18-19,29H,3-8H2,1-2H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303437
PNG
(US10138222, Example 165)
Show SMILES CC1CC(CCO1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)14-29(20)23-16-32-36(19-23)28-15-26(17-31-18-28)33-25-7-10-35(11-8-25)27-9-12-38-21(2)13-27/h3-4,14-19,21,24-25,27,33H,5-13H2,1-2H3,(H,34,37)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303430
PNG
(US10138222, Example 158)
Show SMILES CC(=O)N1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C31H39N7O2/c1-21-3-4-23(31(40)35-25-5-6-25)15-30(21)24-17-33-38(20-24)29-16-27(18-32-19-29)34-26-7-11-37(12-8-26)28-9-13-36(14-10-28)22(2)39/h3-4,15-20,25-26,28,34H,5-14H2,1-2H3,(H,35,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303441
PNG
(US10138222, Example 169)
Show SMILES CN1CC[C@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)[C@H](F)C1
Show InChI InChI=1S/C25H28F2N6O/c1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27/h7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34)/t23-,24+/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303363
PNG
(US10138222, Example 78)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N5O2/c1-16-2-3-17(24(30)28-19-4-5-19)10-23(16)18-12-26-29(15-18)22-11-21(13-25-14-22)27-20-6-8-31-9-7-20/h2-3,10-15,19-20,27H,4-9H2,1H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303364
PNG
(US10138222, Example 79)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303443
PNG
(US10138222, Example 171)
Show SMILES CN(C)C1CCN(CC1)c1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Show InChI InChI=1S/C26H31FN6O/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3/h10-16,19-20H,4-9H2,1-3H3,(H,30,34)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303368
PNG
(US10138222, Example 93)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C28H34N6O/c1-19-5-6-20(28(35)32-22-7-8-22)13-27(19)21-15-30-34(18-21)26-14-24(16-29-17-26)31-23-9-11-33(12-10-23)25-3-2-4-25/h5-6,13-18,22-23,25,31H,2-4,7-12H2,1H3,(H,32,35)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303367
PNG
(US10138222, Example 92)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCNCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H28N6O/c1-16-2-3-17(24(31)29-19-4-5-19)10-23(16)18-12-27-30(15-18)22-11-21(13-26-14-22)28-20-6-8-25-9-7-20/h2-3,10-15,19-20,25,28H,4-9H2,1H3,(H,29,31)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303433
PNG
(US10138222, Example 161)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCCOC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C29H36N6O2/c1-20-4-5-21(29(36)33-23-6-7-23)13-28(20)22-15-31-35(18-22)27-14-25(16-30-17-27)32-24-8-10-34(11-9-24)26-3-2-12-37-19-26/h4-5,13-18,23-24,26,32H,2-3,6-12,19H2,1H3,(H,33,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303446
PNG
(US10138222, Example 174)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CCF)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C26H30F2N6O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27/h10-16,19-20,31H,2-9H2,1H3,(H,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303448
PNG
(US10138222, Example 176)
Show SMILES CN1CC[C@@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C(F)(F)C1
Show InChI InChI=1S/C25H27F3N6O/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35)/t23-/m1/s1
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US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303428
PNG
(US10138222, Example 156)
Show SMILES COCC(C)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C28H36N6O2/c1-19-4-5-21(28(35)32-23-6-7-23)12-27(19)22-14-30-34(17-22)26-13-25(15-29-16-26)31-24-8-10-33(11-9-24)20(2)18-36-3/h4-5,12-17,20,23-24,31H,6-11,18H2,1-3H3,(H,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303353
PNG
(US10138222, Example 67)
Show SMILES CC(Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1)C1CCOC1
Show InChI InChI=1S/C25H29N5O2/c1-16-3-4-18(25(31)29-21-5-6-21)9-24(16)20-11-27-30(14-20)23-10-22(12-26-13-23)28-17(2)19-7-8-32-15-19/h3-4,9-14,17,19,21,28H,5-8,15H2,1-2H3,(H,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303425
PNG
(US10138222, Example 153)
Show SMILES CC(CCO)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C28H36N6O2/c1-19-3-4-21(28(36)32-23-5-6-23)13-27(19)22-15-30-34(18-22)26-14-25(16-29-17-26)31-24-7-10-33(11-8-24)20(2)9-12-35/h3-4,13-18,20,23-24,31,35H,5-12H2,1-2H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303447
PNG
(US10138222, Example 175)
Show SMILES CN1CC[C@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C(F)(F)C1
Show InChI InChI=1S/C25H27F3N6O/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35)/t23-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303427
PNG
(US10138222, Example 155)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3CCOCC3)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C30H38N6O2/c1-21-2-3-23(30(37)34-25-4-5-25)14-29(21)24-16-32-36(20-24)28-15-27(17-31-18-28)33-26-6-10-35(11-7-26)19-22-8-12-38-13-9-22/h2-3,14-18,20,22,25-26,33H,4-13,19H2,1H3,(H,34,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303426
PNG
(US10138222, Example 154)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3CCOC3)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C29H36N6O2/c1-20-2-3-22(29(36)33-24-4-5-24)12-28(20)23-14-31-35(18-23)27-13-26(15-30-16-27)32-25-6-9-34(10-7-25)17-21-8-11-37-19-21/h2-3,12-16,18,21,24-25,32H,4-11,17,19H2,1H3,(H,33,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303445
PNG
(US10138222, Example 173)
Show SMILES CO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C25H28ClFN6O2/c1-32-6-5-23(24(14-32)35-2)30-17-7-18(12-28-11-17)33-13-15(10-29-33)19-8-20(22(27)9-21(19)26)25(34)31-16-3-4-16/h7-13,16,23-24,30H,3-6,14H2,1-2H3,(H,31,34)/t23-,24+/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303444
PNG
(US10138222, Example 172)
Show SMILES CN1CCC(COc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C1
Show InChI InChI=1S/C25H28FN5O2/c1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303431
PNG
(US10138222, Example 159)
Show SMILES CC1OCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C29H36N6O2/c1-19-3-4-21(29(36)33-23-5-6-23)13-27(19)22-15-31-35(18-22)26-14-25(16-30-17-26)32-24-7-10-34(11-8-24)28-9-12-37-20(28)2/h3-4,13-18,20,23-24,28,32H,5-12H2,1-2H3,(H,33,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303442
PNG
(US10138222, Example 170)
Show SMILES CN1CC[C@@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)[C@@H](F)C1
Show InChI InChI=1S/C25H28F2N6O/c1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27/h7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34)/t23-,24+/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303379
PNG
(US10138222, Example 104)
Show SMILES Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cncc(c1)C1CC1
Show InChI InChI=1S/C21H18ClFN4O/c22-19-7-20(23)18(21(28)26-15-3-4-15)6-17(19)14-9-25-27(11-14)16-5-13(8-24-10-16)12-1-2-12/h5-12,15H,1-4H2,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303429
PNG
(US10138222, Example 157)
Show SMILES CC(CO)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C27H34N6O2/c1-18-3-4-20(27(35)31-22-5-6-22)11-26(18)21-13-29-33(16-21)25-12-24(14-28-15-25)30-23-7-9-32(10-8-23)19(2)17-34/h3-4,11-16,19,22-23,30,34H,5-10,17H2,1-2H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303345
PNG
(US10138222, Example 63)
Show SMILES CC(=O)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H30N6O2/c1-17-3-4-19(26(34)30-21-5-6-21)11-25(17)20-13-28-32(16-20)24-12-23(14-27-15-24)29-22-7-9-31(10-8-22)18(2)33/h3-4,11-16,21-22,29H,5-10H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303436
PNG
(US10138222, Example 164)
Show SMILES CC1COCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)13-28(20)23-15-32-36(18-23)27-14-26(16-31-17-27)33-25-7-10-35(11-8-25)29-9-12-38-19-21(29)2/h3-4,13-18,21,24-25,29,33H,5-12,19H2,1-2H3,(H,34,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303434
PNG
(US10138222, Example 162)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C29H36N6O2/c1-20-2-3-21(29(36)33-23-4-5-23)14-28(20)22-16-31-35(19-22)27-15-25(17-30-18-27)32-24-6-10-34(11-7-24)26-8-12-37-13-9-26/h2-3,14-19,23-24,26,32H,4-13H2,1H3,(H,33,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303351
PNG
(US10138222, Example 65)
Show SMILES COC1CCC(C1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H29N5O2/c1-16-3-4-17(25(31)29-19-5-6-19)9-24(16)18-12-27-30(15-18)22-10-21(13-26-14-22)28-20-7-8-23(11-20)32-2/h3-4,9-10,12-15,19-20,23,28H,5-8,11H2,1-2H3,(H,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303412
PNG
(US10138222, Example 141)
Show SMILES CNc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H21N5O/c1-13-3-4-14(20(26)24-16-5-6-16)7-19(13)15-9-23-25(12-15)18-8-17(21-2)10-22-11-18/h3-4,7-12,16,21H,5-6H2,1-2H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303376
PNG
(US10138222, Example 99)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCC2CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N5O/c1-15-2-5-17(23(29)27-19-6-7-19)8-22(15)18-11-26-28(14-18)21-9-20(12-24-13-21)25-10-16-3-4-16/h2,5,8-9,11-14,16,19,25H,3-4,6-7,10H2,1H3,(H,27,29)
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US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303391
PNG
(US10138222, Example 115)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)C2CCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H25N5O2/c1-15-5-6-17(24(31)27-19-7-8-19)9-22(15)18-11-26-29(14-18)21-10-20(12-25-13-21)28-23(30)16-3-2-4-16/h5-6,9-14,16,19H,2-4,7-8H2,1H3,(H,27,31)(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303390
PNG
(US10138222, Example 114)
Show SMILES CC(C)CC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N5O2/c1-15(2)8-23(30)27-20-10-21(13-25-12-20)29-14-18(11-26-29)22-9-17(5-4-16(22)3)24(31)28-19-6-7-19/h4-5,9-15,19H,6-8H2,1-3H3,(H,27,30)(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303356
PNG
(US10138222, Example 71)
Show SMILES Cc1ccc(cc1-c1cn(cn1)-c1cncc(c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O/c1-14-2-3-16(22(27)25-18-6-7-18)9-20(14)21-12-26(13-24-21)19-8-17(10-23-11-19)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303415
PNG
(US10138222, Example 144)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)C2CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H23N5O2/c1-14-2-3-16(23(30)26-18-6-7-18)8-21(14)17-10-25-28(13-17)20-9-19(11-24-12-20)27-22(29)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,26,30)(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303413
PNG
(US10138222, Example 142)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)NC2CCOC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N6O3/c1-15-2-3-16(23(31)27-18-4-5-18)8-22(15)17-10-26-30(13-17)21-9-20(11-25-12-21)29-24(32)28-19-6-7-33-14-19/h2-3,8-13,18-19H,4-7,14H2,1H3,(H,27,31)(H2,28,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303382
PNG
(US10138222, Example 107)
Show SMILES CNC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N6O2/c1-13-3-4-14(20(28)25-16-5-6-16)7-19(13)15-9-24-27(12-15)18-8-17(10-23-11-18)26-21(29)22-2/h3-4,7-12,16H,5-6H2,1-2H3,(H,25,28)(H2,22,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303372
PNG
(US10138222, Example 97)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCCCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H29N5O/c1-17-7-8-18(25(31)29-21-9-10-21)11-24(17)19-13-27-30(16-19)23-12-22(14-26-15-23)28-20-5-3-2-4-6-20/h7-8,11-16,20-21,28H,2-6,9-10H2,1H3,(H,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303385
PNG
(US10138222, Example 110)
Show SMILES CC(C)NC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)26-23(31)28-19-9-20(12-24-11-19)29-13-17(10-25-29)21-8-16(5-4-15(21)3)22(30)27-18-6-7-18/h4-5,8-14,18H,6-7H2,1-3H3,(H,27,30)(H2,26,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303393
PNG
(US10138222, Example 117)
Show SMILES CCC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N5O2/c1-3-21(28)25-18-9-19(12-23-11-18)27-13-16(10-24-27)20-8-15(5-4-14(20)2)22(29)26-17-6-7-17/h4-5,8-13,17H,3,6-7H2,1-2H3,(H,25,28)(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303388
PNG
(US10138222, Example 113)
Show SMILES CC(C)C(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N5O2/c1-14(2)22(29)27-19-9-20(12-24-11-19)28-13-17(10-25-28)21-8-16(5-4-15(21)3)23(30)26-18-6-7-18/h4-5,8-14,18H,6-7H2,1-3H3,(H,26,30)(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303279
PNG
(US10138222, Example 45)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O/c1-14-2-3-16(22(27)25-19-6-7-19)9-21(14)18-11-24-26(13-18)20-8-17(10-23-12-20)15-4-5-15/h2-3,8-13,15,19H,4-7H2,1H3,(H,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303384
PNG
(US10138222, Example 109)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)NC2CCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N6O2/c1-15-5-6-16(23(31)27-19-7-8-19)9-22(15)17-11-26-30(14-17)21-10-20(12-25-13-21)29-24(32)28-18-3-2-4-18/h5-6,9-14,18-19H,2-4,7-8H2,1H3,(H,27,31)(H2,28,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303140
PNG
(US10138222, Example 25)
Show SMILES COc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Show InChI InChI=1S/C20H19FN4O2/c1-12-5-19(21)18(20(26)24-14-3-4-14)7-17(12)13-8-23-25(11-13)15-6-16(27-2)10-22-9-15/h5-11,14H,3-4H2,1-2H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303338
PNG
(US10138222, Example 58)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCCN2CCOC2=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N6O3/c1-16-2-3-17(23(31)28-19-4-5-19)10-22(16)18-12-27-30(15-18)21-11-20(13-25-14-21)26-6-7-29-8-9-33-24(29)32/h2-3,10-15,19,26H,4-9H2,1H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303357
PNG
(US10138222, Example 72)
Show SMILES CN(C)c1cncc(c1)-n1cnc(c1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N5O/c1-14-4-5-15(21(27)24-16-6-7-16)8-19(14)20-12-26(13-23-20)18-9-17(25(2)3)10-22-11-18/h4-5,8-13,16H,6-7H2,1-3H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303352
PNG
(US10138222, Example 66)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O2/c1-15-2-3-16(25(31)29-18-4-5-18)8-22(15)17-11-27-30(14-17)20-9-19(12-26-13-20)28-23-10-21-6-7-24(23)32-21/h2-3,8-9,11-14,18,21,23-24,28H,4-7,10H2,1H3,(H,29,31)/t21-,23-,24+/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303424
PNG
(US10138222, Example 152)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CC(CO)(CO)C2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H28N4O4/c1-16-2-3-17(24(32)28-19-4-5-19)6-23(16)18-10-27-29(13-18)20-7-21(12-26-11-20)33-22-8-25(9-22,14-30)15-31/h2-3,6-7,10-13,19,22,30-31H,4-5,8-9,14-15H2,1H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303383
PNG
(US10138222, Example 108)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)NC2CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N6O2/c1-14-2-3-15(22(30)26-17-4-5-17)8-21(14)16-10-25-29(13-16)20-9-19(11-24-12-20)28-23(31)27-18-6-7-18/h2-3,8-13,17-18H,4-7H2,1H3,(H,26,30)(H2,27,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303335
PNG
(US10138222, Example 57)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCC2COCCO2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N5O3/c1-16-2-3-17(24(30)28-19-4-5-19)8-23(16)18-10-27-29(14-18)21-9-20(11-25-12-21)26-13-22-15-31-6-7-32-22/h2-3,8-12,14,19,22,26H,4-7,13,15H2,1H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303416
PNG
(US10138222, Example 145)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCOC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N4O3/c1-15-2-3-16(23(28)26-18-4-5-18)8-22(15)17-10-25-27(13-17)19-9-21(12-24-11-19)30-20-6-7-29-14-20/h2-3,8-13,18,20H,4-7,14H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303386
PNG
(US10138222, Example 111)
Show SMILES CC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N5O2/c1-13-3-4-15(21(28)25-17-5-6-17)7-20(13)16-9-23-26(12-16)19-8-18(10-22-11-19)24-14(2)27/h3-4,7-12,17H,5-6H2,1-2H3,(H,24,27)(H,25,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303371
PNG
(US10138222, Example 96)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N4O3/c1-16-2-3-17(24(29)27-19-4-5-19)10-23(16)18-12-26-28(15-18)20-11-22(14-25-13-20)31-21-6-8-30-9-7-21/h2-3,10-15,19,21H,4-9H2,1H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303366
PNG
(US10138222, Example 81)
Show SMILES CC(C)Oc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N4O2/c1-14(2)28-20-9-19(11-23-12-20)26-13-17(10-24-26)21-8-16(5-4-15(21)3)22(27)25-18-6-7-18/h4-5,8-14,18H,6-7H2,1-3H3,(H,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303417
PNG
(US10138222, Example 146)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCC2CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N4O2/c1-15-2-5-17(23(28)26-19-6-7-19)8-22(15)18-10-25-27(13-18)20-9-21(12-24-11-20)29-14-16-3-4-16/h2,5,8-13,16,19H,3-4,6-7,14H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303414
PNG
(US10138222, Example 143)
Show SMILES COCCC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N5O3/c1-15-3-4-16(23(30)27-18-5-6-18)9-21(15)17-11-25-28(14-17)20-10-19(12-24-13-20)26-22(29)7-8-31-2/h3-4,9-14,18H,5-8H2,1-2H3,(H,26,29)(H,27,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303370
PNG
(US10138222, Example 95)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C19H18N4O2/c1-12-2-3-13(19(25)22-15-4-5-15)6-18(12)14-8-21-23(11-14)16-7-17(24)10-20-9-16/h2-3,6-11,15,24H,4-5H2,1H3,(H,22,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303270
PNG
(US10138222, Example 44)
Show SMILES CN(C)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N5O/c1-14-4-5-15(21(27)24-17-6-7-17)8-20(14)16-10-23-26(13-16)19-9-18(25(2)3)11-22-12-19/h4-5,8-13,17H,6-7H2,1-3H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303422
PNG
(US10138222, Example 151)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCC(C2)C#N)c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H25N5O2/c1-16-2-4-18(25(31)29-20-5-6-20)9-24(16)19-12-28-30(15-19)21-10-23(14-27-13-21)32-22-7-3-17(8-22)11-26/h2,4,9-10,12-15,17,20,22H,3,5-8H2,1H3,(H,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303381
PNG
(US10138222, Example 106)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(N)c1)C(=O)NC1CC1
Show InChI InChI=1S/C19H19N5O/c1-12-2-3-13(19(25)23-16-4-5-16)6-18(12)14-8-22-24(11-14)17-7-15(20)9-21-10-17/h2-3,6-11,16H,4-5,20H2,1H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303421
PNG
(US10138222, Example 150)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCC2CCCO2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N4O3/c1-16-4-5-17(24(29)27-19-6-7-19)9-23(16)18-11-26-28(14-18)20-10-22(13-25-12-20)31-15-21-3-2-8-30-21/h4-5,9-14,19,21H,2-3,6-8,15H2,1H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303392
PNG
(US10138222, Example 116)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)CF)c1)C(=O)NC1CC1
Show InChI InChI=1S/C21H20FN5O2/c1-13-2-3-14(21(29)26-16-4-5-16)6-19(13)15-9-24-27(12-15)18-7-17(10-23-11-18)25-20(28)8-22/h2-3,6-7,9-12,16H,4-5,8H2,1H3,(H,25,28)(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303250
PNG
(US10138222, Example 33)
Show SMILES COc1cncc(c1)-n1cnc(c1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-27-13-4-12(7-22-8-13)25-9-18(23-10-25)14-5-15(17(21)6-16(14)20)19(26)24-11-2-3-11/h4-11H,2-3H2,1H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303330
PNG
(US10138222, Example 53)
Show SMILES COc1cncc(c1)-n1cnc(c1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O2/c1-13-3-4-14(20(25)23-15-5-6-15)7-18(13)19-11-24(12-22-19)16-8-17(26-2)10-21-9-16/h3-4,7-12,15H,5-6H2,1-2H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303387
PNG
(US10138222, Example 112)
Show SMILES COCC(=O)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N5O3/c1-14-3-4-15(22(29)26-17-5-6-17)7-20(14)16-9-24-27(12-16)19-8-18(10-23-11-19)25-21(28)13-30-2/h3-4,7-12,17H,5-6,13H2,1-2H3,(H,25,28)(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303418
PNG
(US10138222, Example 147)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCC2CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H28N4O3/c1-17-2-3-19(25(30)28-21-4-5-21)10-24(17)20-12-27-29(15-20)22-11-23(14-26-13-22)32-16-18-6-8-31-9-7-18/h2-3,10-15,18,21H,4-9,16H2,1H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303342
PNG
(US10138222, Example 60)
Show SMILES COCCNc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H25N5O2/c1-15-3-4-16(22(28)26-18-5-6-18)9-21(15)17-11-25-27(14-17)20-10-19(12-23-13-20)24-7-8-29-2/h3-4,9-14,18,24H,5-8H2,1-2H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303257
PNG
(US10138222, Example 36)
Show SMILES CCOc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O2/c1-3-27-19-9-18(11-22-12-19)25-13-16(10-23-25)20-8-15(5-4-14(20)2)21(26)24-17-6-7-17/h4-5,8-13,17H,3,6-7H2,1-2H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303170
PNG
(US10138222, Example 26)
Show SMILES COc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-27-14-4-13(8-22-9-14)25-10-11(7-23-25)15-5-16(18(21)6-17(15)20)19(26)24-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303420
PNG
(US10138222, Example 149)
Show SMILES CC(=O)N1CCC(CC1)Oc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H29N5O3/c1-17-3-4-19(26(33)29-21-5-6-21)11-25(17)20-13-28-31(16-20)22-12-24(15-27-14-22)34-23-7-9-30(10-8-23)18(2)32/h3-4,11-16,21,23H,5-10H2,1-2H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303339
PNG
(US10138222, Example 59)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCC2CCCO2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N5O2/c1-16-4-5-17(24(30)28-19-6-7-19)9-23(16)18-11-27-29(15-18)21-10-20(12-25-13-21)26-14-22-3-2-8-31-22/h4-5,9-13,15,19,22,26H,2-3,6-8,14H2,1H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303397
PNG
(US10138222, Example 122)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NS(C)(=O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C20H21N5O3S/c1-13-3-4-14(20(26)23-16-5-6-16)7-19(13)15-9-22-25(12-15)18-8-17(10-21-11-18)24-29(2,27)28/h3-4,7-12,16,24H,5-6H2,1-2H3,(H,23,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303333
PNG
(US10138222, Example 55)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NCCOC(C)(C)C)c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H31N5O2/c1-17-5-6-18(24(31)29-20-7-8-20)11-23(17)19-13-28-30(16-19)22-12-21(14-26-15-22)27-9-10-32-25(2,3)4/h5-6,11-16,20,27H,7-10H2,1-4H3,(H,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303375
PNG
(US10138222, Example 98)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)N1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N5O2/c1-16-2-3-17(23(29)26-19-4-5-19)10-22(16)18-12-25-28(15-18)21-11-20(13-24-14-21)27-6-8-30-9-7-27/h2-3,10-15,19H,4-9H2,1H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303334
PNG
(US10138222, Example 56)
Show SMILES CCO[C@H]1COC[C@@H]1Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H29N5O3/c1-3-33-24-15-32-14-23(24)28-20-9-21(12-26-11-20)30-13-18(10-27-30)22-8-17(5-4-16(22)2)25(31)29-19-6-7-19/h4-5,8-13,19,23-24,28H,3,6-7,14-15H2,1-2H3,(H,29,31)/t23-,24-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303405
PNG
(US10138222, Example 131)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(CC1)C#N)C(=O)NC1CC1
Show InChI InChI=1S/C23H21N5O/c1-15-2-3-16(22(29)27-19-4-5-19)8-21(15)17-10-26-28(13-17)20-9-18(11-25-12-20)23(14-24)6-7-23/h2-3,8-13,19H,4-7H2,1H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303419
PNG
(US10138222, Example 148)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OC2CCCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N4O2/c1-16-6-7-17(24(29)27-19-8-9-19)10-23(16)18-12-26-28(15-18)20-11-22(14-25-13-20)30-21-4-2-3-5-21/h6-7,10-15,19,21H,2-5,8-9H2,1H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303396
PNG
(US10138222, Example 121)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC(=O)C(C)(C)C)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N5O2/c1-15-5-6-16(22(30)27-18-7-8-18)9-21(15)17-11-26-29(14-17)20-10-19(12-25-13-20)28-23(31)24(2,3)4/h5-6,9-14,18H,7-8H2,1-4H3,(H,27,30)(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303399
PNG
(US10138222, Example 124)
Show SMILES CC(=O)N1CC(C1)Oc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H25N5O3/c1-15-3-4-17(24(31)27-19-5-6-19)7-23(15)18-9-26-29(12-18)20-8-21(11-25-10-20)32-22-13-28(14-22)16(2)30/h3-4,7-12,19,22H,5-6,13-14H2,1-2H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303249
PNG
(US10138222, Example 32)
Show SMILES Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cccnc1
Show InChI InChI=1S/C18H14ClFN4O/c19-16-7-17(20)15(18(25)23-12-3-4-12)6-14(16)11-8-22-24(10-11)13-2-1-5-21-9-13/h1-2,5-10,12H,3-4H2,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303209
PNG
(US10138222, Example 28)
Show SMILES COc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O2/c1-13-3-4-14(20(25)23-16-5-6-16)7-19(13)15-9-22-24(12-15)17-8-18(26-2)11-21-10-17/h3-4,7-12,16H,5-6H2,1-2H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303358
PNG
(US10138222, Example 73)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C(=O)OC(C)(C)C)c1)C(=O)NC1CC1
Show InChI InChI=1S/C29H36N6O3/c1-19-5-6-20(27(36)33-22-7-8-22)13-26(19)21-15-31-35(18-21)25-14-24(16-30-17-25)32-23-9-11-34(12-10-23)28(37)38-29(2,3)4/h5-6,13-18,22-23,32H,7-12H2,1-4H3,(H,33,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303401
PNG
(US10138222, Example 126 | US10138222, Example 129)
Show SMILES CC(=O)N1CCC(C1)OC1=CC(=C=[N]=C1)n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H26N5O3/c1-16-3-4-18(25(32)28-20-5-6-20)9-24(16)19-11-27-30(14-19)21-10-23(13-26-12-21)33-22-7-8-29(15-22)17(2)31/h3-4,9-11,13-14,20,22H,5-8,15H2,1-2H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303180
PNG
(US10138222, Example 27)
Show SMILES COc1cncc(c1)-n1cc(cn1)-c1cc(ccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C19H17ClN4O2/c1-26-16-7-15(9-21-10-16)24-11-13(8-22-24)17-6-12(2-5-18(17)20)19(25)23-14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303395
PNG
(US10138222, Example 119)
Show SMILES Cc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O/c1-13-7-18(11-21-9-13)24-12-16(10-22-24)19-8-15(4-3-14(19)2)20(25)23-17-5-6-17/h3-4,7-12,17H,5-6H2,1-2H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303262
PNG
(US10138222, Example 43)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(CO)c1)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O2/c1-13-2-3-15(20(26)23-17-4-5-17)7-19(13)16-9-22-24(11-16)18-6-14(12-25)8-21-10-18/h2-3,6-11,17,25H,4-5,12H2,1H3,(H,23,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303410
PNG
(US10138222, Example 138)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(O)CCOC1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N4O3/c1-15-2-3-16(22(28)26-19-4-5-19)8-21(15)17-10-25-27(13-17)20-9-18(11-24-12-20)23(29)6-7-30-14-23/h2-3,8-13,19,29H,4-7,14H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303365
PNG
(US10138222, Example 80)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(OCc2ccccc2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C26H24N4O2/c1-18-7-8-20(26(31)29-22-9-10-22)11-25(18)21-13-28-30(16-21)23-12-24(15-27-14-23)32-17-19-5-3-2-4-6-19/h2-8,11-16,22H,9-10,17H2,1H3,(H,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303377
PNG
(US10138222, Example 100)
Show SMILES CN1CCN(CC1)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H28N6O/c1-17-3-4-18(24(31)27-20-5-6-20)11-23(17)19-13-26-30(16-19)22-12-21(14-25-15-22)29-9-7-28(2)8-10-29/h3-4,11-16,20H,5-10H2,1-2H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303322
PNG
(US10138222, Example 48)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C(O)=O)C(=O)NC1CC1
Show InChI InChI=1S/C20H18N4O3/c1-12-2-3-13(19(25)23-16-4-5-16)7-18(12)15-9-22-24(11-15)17-6-14(20(26)27)8-21-10-17/h2-3,6-11,16H,4-5H2,1H3,(H,23,25)(H,26,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303411
PNG
(US10138222, Example 140)
Show SMILES CC(N1CCCC1=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O2/c1-16-5-6-18(25(32)28-21-7-8-21)11-23(16)20-13-27-30(15-20)22-10-19(12-26-14-22)17(2)29-9-3-4-24(29)31/h5-6,10-15,17,21H,3-4,7-9H2,1-2H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303253
PNG
(US10138222, Example 34)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cccnc1)C(=O)NC1CC1
Show InChI InChI=1S/C19H18N4O/c1-13-4-5-14(19(24)22-16-6-7-16)9-18(13)15-10-21-23(12-15)17-3-2-8-20-11-17/h2-5,8-12,16H,6-7H2,1H3,(H,22,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303256
PNG
(US10138222, Example 35)
Show SMILES Cc1ccc(cc1-c1cn(cn1)-c1cccnc1)C(=O)NC1CC1
Show InChI InChI=1S/C19H18N4O/c1-13-4-5-14(19(24)22-15-6-7-15)9-17(13)18-11-23(12-21-18)16-3-2-8-20-10-16/h2-5,8-12,15H,6-7H2,1H3,(H,22,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303332
PNG
(US10138222, Example 54)
Show SMILES COc1cncc(c1)-n1cnc(c1)-c1cc(ccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C19H17ClN4O2/c1-26-15-7-14(8-21-9-15)24-10-18(22-11-24)16-6-12(2-5-17(16)20)19(25)23-13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303408
PNG
(US10138222, Example 136)
Show SMILES CC(N1CCCCS1(=O)=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H29N5O3S/c1-17-5-6-19(25(31)28-22-7-8-22)12-24(17)21-14-27-29(16-21)23-11-20(13-26-15-23)18(2)30-9-3-4-10-34(30,32)33/h5-6,11-16,18,22H,3-4,7-10H2,1-2H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303398
PNG
(US10138222, Example 123)
Show SMILES CN(C)c1cncc(n1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C19H18ClFN6O/c1-26(2)17-8-22-9-18(25-17)27-10-11(7-23-27)13-5-14(16(21)6-15(13)20)19(28)24-12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,24,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303401
PNG
(US10138222, Example 126 | US10138222, Example 129)
Show SMILES CC(=O)N1CCC(C1)OC1=CC(=C=[N]=C1)n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H26N5O3/c1-16-3-4-18(25(32)28-20-5-6-20)9-24(16)19-11-27-30(14-19)21-10-23(13-26-12-21)33-22-7-8-29(15-22)17(2)31/h3-4,9-11,13-14,20,22H,5-8,15H2,1-2H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303329
PNG
(US10138222, Example 52)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(CC#N)c1)C(=O)NC1CC1
Show InChI InChI=1S/C21H19N5O/c1-14-2-3-16(21(27)25-18-4-5-18)9-20(14)17-11-24-26(13-17)19-8-15(6-7-22)10-23-12-19/h2-3,8-13,18H,4-6H2,1H3,(H,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303292
PNG
(US10138222, Example 47)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C(F)(F)F)C(=O)NC1CC1
Show InChI InChI=1S/C20H17F3N4O/c1-12-2-3-13(19(28)26-16-4-5-16)6-18(12)14-8-25-27(11-14)17-7-15(9-24-10-17)20(21,22)23/h2-3,6-11,16H,4-5H2,1H3,(H,26,28)
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US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303402
PNG
(US10138222, Example 127)
Show SMILES COc1cncc(n1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C19H19N5O2/c1-12-3-4-13(19(25)22-15-5-6-15)7-16(12)14-8-21-24(11-14)17-9-20-10-18(23-17)26-2/h3-4,7-11,15H,5-6H2,1-2H3,(H,22,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303247
PNG
(US10138222, Example 31)
Show SMILES Clc1ccc(cc1-c1cnn(c1)-c1cccnc1)C(=O)NC1CC1
Show InChI InChI=1S/C18H15ClN4O/c19-17-6-3-12(18(24)22-14-4-5-14)8-16(17)13-9-21-23(11-13)15-2-1-7-20-10-15/h1-3,6-11,14H,4-5H2,(H,22,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303403
PNG
(US10138222, Example 128)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(n1)C1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N5O2/c1-15-2-3-17(23(29)26-19-4-5-19)10-20(15)18-11-25-28(14-18)22-13-24-12-21(27-22)16-6-8-30-9-7-16/h2-3,10-14,16,19H,4-9H2,1H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303394
PNG
(US10138222, Example 118)
Show SMILES CN(C)c1cncc(n1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H22N6O/c1-13-4-5-14(20(27)23-16-6-7-16)8-17(13)15-9-22-26(12-15)19-11-21-10-18(24-19)25(2)3/h4-5,8-12,16H,6-7H2,1-3H3,(H,23,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303407
PNG
(US10138222, Example 135)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(CN2CCOCC2=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H25N5O3/c1-16-2-3-18(24(31)27-20-4-5-20)9-22(16)19-11-26-29(14-19)21-8-17(10-25-12-21)13-28-6-7-32-15-23(28)30/h2-3,8-12,14,20H,4-7,13,15H2,1H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303409
PNG
(US10138222, Example 137)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(O)CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N4O3/c1-16-2-3-17(23(29)27-20-4-5-20)10-22(16)18-12-26-28(15-18)21-11-19(13-25-14-21)24(30)6-8-31-9-7-24/h2-3,10-15,20,30H,4-9H2,1H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303400
PNG
(US10138222, Example 125)
Show SMILES CN1C(CCC1=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H25N5O2/c1-15-3-4-16(24(31)27-19-5-6-19)10-21(15)18-12-26-29(14-18)20-9-17(11-25-13-20)22-7-8-23(30)28(22)2/h3-4,9-14,19,22H,5-8H2,1-2H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303258
PNG
(US10138222, Example 39)
Show SMILES CNCc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N5O/c1-14-3-4-16(21(27)25-18-5-6-18)8-20(14)17-11-24-26(13-17)19-7-15(9-22-2)10-23-12-19/h3-4,7-8,10-13,18,22H,5-6,9H2,1-2H3,(H,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303283
PNG
(US10138222, Example 46)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)S(C)(=O)=O)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O3S/c1-13-3-4-14(20(25)23-16-5-6-16)7-19(13)15-9-22-24(12-15)17-8-18(11-21-10-17)28(2,26)27/h3-4,7-12,16H,5-6H2,1-2H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303328
PNG
(US10138222, Example 51)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(CC(O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C21H20N4O3/c1-13-2-3-15(21(28)24-17-4-5-17)8-19(13)16-10-23-25(12-16)18-6-14(7-20(26)27)9-22-11-18/h2-3,6,8-12,17H,4-5,7H2,1H3,(H,24,28)(H,26,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303378
PNG
(US10138222, Example 101)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(c1)C1(CC1)C(N)=O)C(=O)NC1CC1
Show InChI InChI=1S/C23H23N5O2/c1-14-2-3-15(21(29)27-18-4-5-18)8-20(14)16-10-26-28(13-16)19-9-17(11-25-12-19)23(6-7-23)22(24)30/h2-3,8-13,18H,4-7H2,1H3,(H2,24,30)(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303326
PNG
(US10138222, Example 49)
Show SMILES CN(C)C(=O)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N5O2/c1-14-4-5-15(21(28)25-18-6-7-18)9-20(14)17-11-24-27(13-17)19-8-16(10-23-12-19)22(29)26(2)3/h4-5,8-13,18H,6-7H2,1-3H3,(H,25,28)
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US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303327
PNG
(US10138222, Example 50)
Show SMILES CC(=O)NC(C)(C)c1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N5O2/c1-15-5-6-17(23(31)27-20-7-8-20)9-22(15)18-11-26-29(14-18)21-10-19(12-25-13-21)24(3,4)28-16(2)30/h5-6,9-14,20H,7-8H2,1-4H3,(H,27,31)(H,28,30)
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US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)

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