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Compile Data Set for Download or QSAR

Found 195 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase receptor R3'   
Target
(Institution)
LigandTarget
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 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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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)


Citation and Details
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)


Citation and Details
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))
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))
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
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 21n/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))
BDBM130920
PNG
(US8822500, [24])
Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(C4CCN(C)CC4)C(=O)c3c(C)c2[nH]1
Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)19(31)12-20(32)26(18)34)36-21-4-7-35-29(41)24(21)28-37-22-11-16-13-40(17-5-8-39(3)9-6-17)30(42)23(16)15(2)27(22)38-28/h4,7,11-12,14,17H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)
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n/an/a 23.7n/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))
BDBM51425
PNG
(US9040691, 21)
Show SMILES Nc1ncnn2c(cc(-c3ccc(CO)c(F)c3)c12)N1CCOCC1
Show InChI InChI=1S/C17H18FN5O2/c18-14-7-11(1-2-12(14)9-24)13-8-15(22-3-5-25-6-4-22)23-16(13)17(19)20-10-21-23/h1-2,7-8,10,24H,3-6,9H2,(H2,19,20,21)
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n/an/a 25n/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))
BDBM36354
PNG
(4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


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


(Homo sapiens (Human))
BDBM50262016
PNG
(4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-12-24-22-20(13-25-26(22)14-16)18-10-11-23-21-5-3-2-4-19(18)21/h2-14H,1H3
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


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


(Homo sapiens (Human))
BDBM50056676
PNG
(CHEMBL3341789)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 27n/an/an/an/an/an/a



Massachusetts Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin) expressed in HEK293T cells after 30 mins by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
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