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Compile Data Set for Download or QSAR

Found 144 hits of ic50 data for polymerid = 6472   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160276
PNG
(US9040691, 4)
Show SMILES Nc1ncnn2c(CCCCO)cc(-c3ccc(CO)cc3)c12
Show InChI InChI=1S/C17H20N4O2/c18-17-16-15(13-6-4-12(10-23)5-7-13)9-14(3-1-2-8-22)21(16)20-11-19-17/h4-7,9,11,22-23H,1-3,8,10H2,(H2,18,19,20)
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n/an/a 1n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160301
PNG
(US9040691, 29)
Show SMILES COc1cc(cc(F)c1CO)-c1cc([C@H]2CC[C@H](O)CC2)n2ncnc(N)c12
Show InChI InChI=1/C20H23FN4O3/c1-28-18-7-12(6-16(21)15(18)9-26)14-8-17(11-2-4-13(27)5-3-11)25-19(14)20(22)23-10-24-25/h6-8,10-11,13,26-27H,2-5,9H2,1H3,(H2,22,23,24)/t11-,13-
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n/an/a 1n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160312
PNG
(US9040691, 40 | US9040691, 41 | US9040691, 42)
Show SMILES COc1cc(ccc1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1/C18H20N4O3/c1-25-15-6-11(4-5-12(15)8-23)13-7-14(17(24)10-2-3-10)22-16(13)18(19)20-9-21-22/h4-7,9-10,17,23-24H,2-3,8H2,1H3,(H2,19,20,21)
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n/an/a 1.20n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160277
PNG
(US9040691, 5)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C(O)C1CC1
Show InChI InChI=1/C17H16F2N4O2/c18-12-3-9(4-13(19)11(12)6-24)10-5-14(16(25)8-1-2-8)23-15(10)17(20)21-7-22-23/h3-5,7-8,16,24-25H,1-2,6H2,(H2,20,21,22)
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n/an/a 1.30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130909
PNG
(US8822500, Stauro- sporine)
Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)
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n/an/a 1.36n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160283
PNG
(US9040691, 11)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@@H]1CCCNC1
Show InChI InChI=1/C18H19F2N5O/c19-14-4-11(5-15(20)13(14)8-26)12-6-16(10-2-1-3-22-7-10)25-17(12)18(21)23-9-24-25/h4-6,9-10,22,26H,1-3,7-8H2,(H2,21,23,24)/t10-/s2
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n/an/a 1.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160315
PNG
(US9040691, 43)
Show SMILES CC(C)c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C16H16F2N4O/c1-8(2)14-5-10(15-16(19)20-7-21-22(14)15)9-3-12(17)11(6-23)13(18)4-9/h3-5,7-8,23H,6H2,1-2H3,(H2,19,20,21)
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n/an/a 1.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160302
PNG
(US9040691, 30)
Show SMILES COc1cc(cc(F)c1CO)-c1cc(C2CCCNC2)n2ncnc(N)c12
Show InChI InChI=1/C19H22FN5O2/c1-27-17-6-12(5-15(20)14(17)9-26)13-7-16(11-3-2-4-22-8-11)25-18(13)19(21)23-10-24-25/h5-7,10-11,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160289
PNG
(US9040691, 17)
Show SMILES Nc1nc(cs1)-c1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C16H14N6OS/c17-15-14-11(10-3-1-9(6-23)2-4-10)5-13(22(14)20-8-19-15)12-7-24-16(18)21-12/h1-5,7-8,23H,6H2,(H2,18,21)(H2,17,19,20)
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160279
PNG
(US9040691, 7)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C19H20F2N4O2/c20-15-5-11(6-16(21)14(15)8-26)13-7-17(10-1-3-12(27)4-2-10)25-18(13)19(22)23-9-24-25/h5-7,9-10,12,26-27H,1-4,8H2,(H2,22,23,24)/t10-,12-
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160273
PNG
(US9040691, 1)
Show SMILES CCCc1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C16H18N4O/c1-2-3-13-8-14(12-6-4-11(9-21)5-7-12)15-16(17)18-10-19-20(13)15/h4-8,10,21H,2-3,9H2,1H3,(H2,17,18,19)
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n/an/a 2n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160288
PNG
(US9040691, 16)
Show SMILES CCc1nc(cs1)-c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C18H15F2N5OS/c1-2-16-24-14(7-27-16)15-5-10(17-18(21)22-8-23-25(15)17)9-3-12(19)11(6-26)13(20)4-9/h3-5,7-8,26H,2,6H2,1H3,(H2,21,22,23)
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n/an/a 2.60n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160274
PNG
(US9040691, 2)
Show SMILES CCCc1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C16H16F2N4O/c1-2-3-10-6-11(15-16(19)20-8-21-22(10)15)9-4-13(17)12(7-23)14(18)5-9/h4-6,8,23H,2-3,7H2,1H3,(H2,19,20,21)
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n/an/a 2.80n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160309
PNG
(US9040691, 37)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc(C2CCNC2)n2ncnc(N)c12
Show InChI InChI=1/C19H22FN5O/c1-2-11-5-13(6-16(20)15(11)9-26)14-7-17(12-3-4-22-8-12)25-18(14)19(21)23-10-24-25/h5-7,10,12,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
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n/an/a<3n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160283
PNG
(US9040691, 11)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@@H]1CCCNC1
Show InChI InChI=1/C18H19F2N5O/c19-14-4-11(5-15(20)13(14)8-26)12-6-16(10-2-1-3-22-7-10)25-17(12)18(21)23-9-24-25/h4-6,9-10,22,26H,1-3,7-8H2,(H2,21,23,24)/t10-/s2
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n/an/a 3n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160312
PNG
(US9040691, 40 | US9040691, 41 | US9040691, 42)
Show SMILES COc1cc(ccc1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1/C18H20N4O3/c1-25-15-6-11(4-5-12(15)8-23)13-7-14(17(24)10-2-3-10)22-16(13)18(19)20-9-21-22/h4-7,9-10,17,23-24H,2-3,8H2,1H3,(H2,19,20,21)
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n/an/a 3.20n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160312
PNG
(US9040691, 40 | US9040691, 41 | US9040691, 42)
Show SMILES COc1cc(ccc1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1/C18H20N4O3/c1-25-15-6-11(4-5-12(15)8-23)13-7-14(17(24)10-2-3-10)22-16(13)18(19)20-9-21-22/h4-7,9-10,17,23-24H,2-3,8H2,1H3,(H2,19,20,21)
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n/an/a 3.5n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160316
PNG
(US9040691, 44)
Show SMILES CC(O)c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1/C15H14F2N4O2/c1-7(23)13-4-9(14-15(18)19-6-20-21(13)14)8-2-11(16)10(5-22)12(17)3-8/h2-4,6-7,22-23H,5H2,1H3,(H2,18,19,20)
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n/an/a 3.80n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160275
PNG
(US9040691, 3)
Show SMILES Nc1ncnn2c(CCCO)cc(-c3ccc(CO)cc3)c12
Show InChI InChI=1S/C16H18N4O2/c17-16-15-14(12-5-3-11(9-22)4-6-12)8-13(2-1-7-21)20(15)19-10-18-16/h3-6,8,10,21-22H,1-2,7,9H2,(H2,17,18,19)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160304
PNG
(US9040691, 32)
Show SMILES Cc1cc(cc(F)c1CO)-c1cc(C2CCNC2)n2ncnc(N)c12
Show InChI InChI=1/C18H20FN5O/c1-10-4-12(5-15(19)14(10)8-25)13-6-16(11-2-3-21-7-11)24-17(13)18(20)22-9-23-24/h4-6,9,11,21,25H,2-3,7-8H2,1H3,(H2,20,22,23)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM161920
PNG
(US9682983, 52 | US9682983, 53)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
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n/an/a 4n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM143311
PNG
(US9682983, 11)
Show SMILES COc1ccc(cc1)C1(CC1)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@@]2(C)C(N)=O)s1
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n/an/a 4n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160310
PNG
(US9040691, 38)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc(C2CCCNC2)n2ncnc(N)c12
Show InChI InChI=1/C20H24FN5O/c1-2-12-6-14(7-17(21)16(12)10-27)15-8-18(13-4-3-5-23-9-13)26-19(15)20(22)24-11-25-26/h6-8,11,13,23,27H,2-5,9-10H2,1H3,(H2,22,24,25)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160303
PNG
(US9040691, 31)
Show SMILES Cc1cc(cc(F)c1CO)-c1cc(C2CCCNC2)n2ncnc(N)c12
Show InChI InChI=1/C19H22FN5O/c1-11-5-13(6-16(20)15(11)9-26)14-7-17(12-3-2-4-22-8-12)25-18(14)19(21)23-10-24-25/h5-7,10,12,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160285
PNG
(US9040691, 13)
Show SMILES Cc1nc(cs1)-c1cc(-c2ccc(CO)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C17H15N5OS/c1-10-21-14(8-24-10)15-6-13(12-4-2-11(7-23)3-5-12)16-17(18)19-9-20-22(15)16/h2-6,8-9,23H,7H2,1H3,(H2,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160306
PNG
(US9040691, 34)
Show SMILES NCc1nc(cs1)-c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C17H14F2N6OS/c18-11-1-8(2-12(19)10(11)5-26)9-3-14(13-6-27-15(4-20)24-13)25-16(9)17(21)22-7-23-25/h1-3,6-7,26H,4-5,20H2,(H2,21,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
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n/an/a 4.40n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160286
PNG
(US9040691, 14)
Show SMILES Cc1nc(cs1)-c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12
Show InChI InChI=1S/C17H13F2N5OS/c1-8-23-14(6-26-8)15-4-10(16-17(20)21-7-22-24(15)16)9-2-12(18)11(5-25)13(19)3-9/h2-4,6-7,25H,5H2,1H3,(H2,20,21,22)
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n/an/a 5.30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160311
PNG
(US9040691, 39)
Show SMILES CCc1cc(cc(F)c1CO)-c1cc(C(O)C2CC2)n2ncnc(N)c12
Show InChI InChI=1/C19H21FN4O2/c1-2-10-5-12(6-15(20)14(10)8-25)13-7-16(18(26)11-3-4-11)24-17(13)19(21)22-9-23-24/h5-7,9,11,18,25-26H,2-4,8H2,1H3,(H2,21,22,23)
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n/an/a 5.70n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160281
PNG
(US9040691, 9)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1(O)CCCNC1
Show InChI InChI=1/C18H19F2N5O2/c19-13-4-10(5-14(20)12(13)7-26)11-6-15(18(27)2-1-3-22-8-18)25-16(11)17(21)23-9-24-25/h4-6,9,22,26-27H,1-3,7-8H2,(H2,21,23,24)
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n/an/a 5.70n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM111123
PNG
(US9682983, 2)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
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n/an/a 5.80n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160284
PNG
(US9040691, 12)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CCCNC1
Show InChI InChI=1/C18H19F2N5O/c19-14-4-11(5-15(20)13(14)8-26)12-6-16(10-2-1-3-22-7-10)25-17(12)18(21)23-9-24-25/h4-6,9-10,22,26H,1-3,7-8H2,(H2,21,23,24)/t10-/s2
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n/an/a 5.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160279
PNG
(US9040691, 7)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C19H20F2N4O2/c20-15-5-11(6-16(21)14(15)8-26)13-7-17(10-1-3-12(27)4-2-10)25-18(13)19(22)23-9-24-25/h5-7,9-10,12,26-27H,1-4,8H2,(H2,22,23,24)/t10-,12-
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n/an/a 6.70n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
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n/an/a 6.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160282
PNG
(US9040691, 10)
Show SMILES Nc1ncnn2c(cc(-c3ccc(CO)cc3)c12)C1CCNCC1
Show InChI InChI=1S/C18H21N5O/c19-18-17-15(13-3-1-12(10-24)2-4-13)9-16(23(17)22-11-21-18)14-5-7-20-8-6-14/h1-4,9,11,14,20,24H,5-8,10H2,(H2,19,21,22)
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n/an/a 8n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130919
PNG
(US8822500, [18])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)
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n/an/a 9.16n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130910
PNG
(US8822500, [4])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1
Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1
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n/an/a 9.81n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM108945
PNG
(US9682983, 48)
Show SMILES C1CC(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
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n/an/a 11n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 13n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM102618
PNG
(LDN-212854)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 14n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130911
PNG
(US8822500, [2])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H25F4N6O3/c1-12(8-15-22(30)16(28)11-17(29)23(15)31)33-18-4-5-32-25(38)21(18)24-34-19-9-13-14(10-20(19)35-24)27(40)37(26(13)39)7-6-36(2)3/h4-5,9-12,34-35H,6-8H2,1-3H3,(H2,32,33,38)/t12-/m0/s1
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n/an/a 14.0n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130921
PNG
(US8822500, [24A])
Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3CN(C4CCN(C)CC4)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)20(31)12-21(32)26(18)34)36-22-4-7-35-29(41)24(22)28-37-23-11-17-19(15(2)27(23)38-28)13-40(30(17)42)16-5-8-39(3)9-6-16/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)
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n/an/a 14.6n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160305
PNG
(US9040691, 33)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1(O)CCCCC1
Show InChI InChI=1S/C19H20F2N4O2/c20-14-6-11(7-15(21)13(14)9-26)12-8-16(19(27)4-2-1-3-5-19)25-17(12)18(22)23-10-24-25/h6-8,10,26-27H,1-5,9H2,(H2,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130913
PNG
(US8822500, [28])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(C4CCN(C)CC4)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C29H29F2N6O3/c1-15(11-16-12-17(30)3-4-21(16)31)33-22-5-8-32-27(38)25(22)26-34-23-13-19-20(14-24(23)35-26)29(40)37(28(19)39)18-6-9-36(2)10-7-18/h3-5,8,12-15,18,34-35H,6-7,9-11H2,1-2H3,(H2,32,33,38)
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n/an/a 15.1n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130915
PNG
(US8822500, [13])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(C(O)c3cc2[nH]1)c1cccnc1
Show InChI InChI=1S/C28H21F4N6O3/c1-12(7-16-23(31)17(29)10-18(30)24(16)32)35-19-4-6-34-26(39)22(19)25-36-20-8-14-15(9-21(20)37-25)28(41)38(27(14)40)13-3-2-5-33-11-13/h2-6,8-12,27,36-37,40H,7H2,1H3,(H2,34,35,39)/t12-,27?/m0/s1
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n/an/a 15.2n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM143566
PNG
(US9682983, 13)
Show SMILES CCOC(=O)c1cc(C(C)C)n(n1)-c1cnc(nc1OC)N(C)C
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n/an/a 16n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160294
PNG
(US9040691, 22)
Show SMILES Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)c(Cl)c3)c12
Show InChI InChI=1S/C18H20ClN5O2/c19-16-7-12(1-2-13(16)10-25)15-8-14(9-23-3-5-26-6-4-23)24-17(15)18(20)21-11-22-24/h1-2,7-8,11,25H,3-6,9-10H2,(H2,20,21,22)
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n/an/a 17n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM148371
PNG
(US9682983, 32)
Show SMILES Cc1ccc(NC(=O)CC(C)(C)C)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1
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n/an/a 17n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160291
PNG
(US9040691, 19)
Show SMILES Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12
Show InChI InChI=1S/C18H21N5O2/c19-18-17-16(14-3-1-13(11-24)2-4-14)9-15(23(17)21-12-20-18)10-22-5-7-25-8-6-22/h1-4,9,12,24H,5-8,10-11H2,(H2,19,20,21)
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n/an/a 19n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)

More data for this
Ligand-Target Pair
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