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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'boyce' and Initial = 'r'   
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
Histamine H4 receptor


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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0.140n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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17n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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104n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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232n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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348n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120931
PNG
(US8716287, 64)
Show SMILES COc1cc(CCNCc2ccc(cc2)N2CCNCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C26H29ClN8O2/c1-37-24-12-19(6-7-30-15-18-2-4-21(5-3-18)35-10-8-29-9-11-35)22(27)13-23(24)33-26(36)34-25-17-31-20(14-28)16-32-25/h2-5,12-13,16-17,29-30H,6-11,15H2,1H3,(H2,32,33,34,36)
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n/an/a 0.0300n/an/an/an/a7.5n/a



Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323106
PNG
(US9630931, Example 4)
Show SMILES COc1cc(CCNC[C@H]2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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n/an/a 0.0500n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323107
PNG
(US9630931, Example 5)
Show SMILES COc1cc(CCNC[C@H]2CCCNC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM316493
PNG
(US9630931, Example 2)
Show SMILES COc1cc(CCNCC2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
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n/an/a 0.0900n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323143
PNG
(US9630931, Example 6)
Show SMILES COc1cc(CCNC[C@@H]2CCCNC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM316492
PNG
(US9630931, Example 1)
Show SMILES COc1cc(CCNCC2CCNCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120919
PNG
(US8716287, 52)
Show SMILES COc1cc(CCN[C@@H](C)c2ccc(cc2)N2CCNCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
Show InChI InChI=1S/C27H31ClN8O2/c1-18(19-3-5-22(6-4-19)36-11-9-30-10-12-36)31-8-7-20-13-25(38-2)24(14-23(20)28)34-27(37)35-26-17-32-21(15-29)16-33-26/h3-6,13-14,16-18,30-31H,7-12H2,1-2H3,(H2,33,34,35,37)/t18-/m0/s1
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n/an/a 0.130n/an/an/an/a7.5n/a



Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323098
PNG
(US9630931, Example 3)
Show SMILES COc1cc(CCNC[C@@H]2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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n/an/a 0.140n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323169
PNG
(US9630931, Example 27)
Show SMILES CC(C)Oc1cc(CCNCC(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120921
PNG
(US8716287, 54)
Show SMILES COc1cc(CCNCc2ccc3OCOc3c2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H21ClN6O4/c1-32-20-7-15(4-5-26-10-14-2-3-19-21(6-14)34-13-33-19)17(24)8-18(20)29-23(31)30-22-12-27-16(9-25)11-28-22/h2-3,6-8,11-12,26H,4-5,10,13H2,1H3,(H2,28,29,30,31)
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n/an/a 0.230n/an/an/an/a7.5n/a



Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323150
PNG
(US9630931, Example 13)
Show SMILES COc1cc(CCN[C@H](C)C2CCN(CC2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323148
PNG
(US9630931, Example 11)
Show SMILES COc1cc(CCN[C@@H](C)C2CCN(CC2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120916
PNG
(US8716287, 49)
Show SMILES COc1ccc(CNCCc2cc(OC)c(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)cc1
Show InChI InChI=1S/C23H23ClN6O3/c1-32-18-5-3-15(4-6-18)12-26-8-7-16-9-21(33-2)20(10-19(16)24)29-23(31)30-22-14-27-17(11-25)13-28-22/h3-6,9-10,13-14,26H,7-8,12H2,1-2H3,(H2,28,29,30,31)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120913
PNG
(US8716287, 46)
Show SMILES CC(C)Oc1cc(CCNCc2ccc(F)cc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C24H24ClFN6O2/c1-15(2)34-22-9-17(7-8-28-12-16-3-5-18(26)6-4-16)20(25)10-21(22)31-24(33)32-23-14-29-19(11-27)13-30-23/h3-6,9-10,13-15,28H,7-8,12H2,1-2H3,(H2,30,31,32,33)
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n/an/a 0.320n/an/an/an/a7.5n/a



Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323151
PNG
(US9630931, Example 14)
Show SMILES COc1cc(CCNC[C@H]2CN(CCO2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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n/an/a 0.400n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120917
PNG
(US8716287, 50)
Show SMILES COc1cc(CCNCc2ccc(cc2)N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C27H31ClN8O2/c1-35-9-11-36(12-10-35)22-5-3-19(4-6-22)16-30-8-7-20-13-25(38-2)24(14-23(20)28)33-27(37)34-26-18-31-21(15-29)17-32-26/h3-6,13-14,17-18,30H,7-12,16H2,1-2H3,(H2,32,33,34,37)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120909
PNG
(US8716287, 42)
Show SMILES COc1cc(CCNCc2ccc(F)cc2)c(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H20BrFN6O2/c1-32-20-8-15(6-7-26-11-14-2-4-16(24)5-3-14)18(23)9-19(20)29-22(31)30-21-13-27-17(10-25)12-28-21/h2-5,8-9,12-13,26H,6-7,11H2,1H3,(H2,28,29,30,31)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120915
PNG
(US8716287, 48)
Show SMILES COc1cccc(CNCCc2cc(OC)c(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)c1
Show InChI InChI=1S/C23H23ClN6O3/c1-32-18-5-3-4-15(8-18)12-26-7-6-16-9-21(33-2)20(10-19(16)24)29-23(31)30-22-14-27-17(11-25)13-28-22/h3-5,8-10,13-14,26H,6-7,12H2,1-2H3,(H2,28,29,30,31)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323170
PNG
(US9630931, Example 28)
Show SMILES COc1cc(CCN[C@@H](C)C(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120922
PNG
(US8716287, 55)
Show SMILES COc1ccccc1CNCCc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
Show InChI InChI=1S/C23H23ClN6O3/c1-32-20-6-4-3-5-16(20)12-26-8-7-15-9-21(33-2)19(10-18(15)24)29-23(31)30-22-14-27-17(11-25)13-28-22/h3-6,9-10,13-14,26H,7-8,12H2,1-2H3,(H2,28,29,30,31)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323156
PNG
(US9630931, Example 18)
Show SMILES COc1cc(CCN[C@@H](C)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120920
PNG
(US8716287, 53)
Show SMILES COc1ccc(cc1)[C@H](C)NCCc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl |r|
Show InChI InChI=1S/C24H25ClN6O3/c1-15(16-4-6-19(33-2)7-5-16)27-9-8-17-10-22(34-3)21(11-20(17)25)30-24(32)31-23-14-28-18(12-26)13-29-23/h4-7,10-11,13-15,27H,8-9H2,1-3H3,(H2,29,30,31,32)/t15-/m0/s1
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323168
PNG
(US9630931, Example 26)
Show SMILES COc1cc(CCNCC(=O)N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50243389
PNG
(CHEMBL3185148)
PDB
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




J Med Chem 60: 8482-8514 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00922
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50313013
PNG
(CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorop...)
Show SMILES Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL




J Med Chem 60: 8482-8514 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00922
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323167
PNG
(US9630931, Example 25)
Show SMILES COc1cc(OCCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323147
PNG
(US9630931, Example 10)
Show SMILES COc1cc(CCN[C@@H](C)C2CCN(CC2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323146
PNG
(US9630931, Example 9)
Show SMILES COc1cc(CCNCCN2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120932
PNG
(US8716287, 65)
Show SMILES COc1cccc(c1)[C@H](C)NCCc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl |r|
Show InChI InChI=1S/C24H25ClN6O3/c1-15(16-5-4-6-19(9-16)33-2)27-8-7-17-10-22(34-3)21(11-20(17)25)30-24(32)31-23-14-28-18(12-26)13-29-23/h4-6,9-11,13-15,27H,7-8H2,1-3H3,(H2,29,30,31,32)/t15-/m0/s1
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323145
PNG
(US9630931, Example 8)
Show SMILES CC(C)Oc1cc(CCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323144
PNG
(US9630931, Example 7)
Show SMILES COc1cc(CCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323166
PNG
(US9630931, Example 24)
Show SMILES COc1cc(CCN[C@H](C)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120912
PNG
(US8716287, 45)
Show SMILES CCOc1cc(CCNCc2ccc(F)cc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H22ClFN6O2/c1-2-33-21-9-16(7-8-27-12-15-3-5-17(25)6-4-15)19(24)10-20(21)30-23(32)31-22-14-28-18(11-26)13-29-22/h3-6,9-10,13-14,27H,2,7-8,12H2,1H3,(H2,29,30,31,32)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120886
PNG
(US8716287, 19)
Show SMILES COc1cc(CCNCc2cccc(F)c2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H20ClFN6O2/c1-32-20-8-15(5-6-26-11-14-3-2-4-16(24)7-14)18(23)9-19(20)29-22(31)30-21-13-27-17(10-25)12-28-21/h2-4,7-9,12-13,26H,5-6,11H2,1H3,(H2,28,29,30,31)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120902
PNG
(US8716287, 35)
Show SMILES CN1CCN(CC1)c1ccc(CNCCc2ccc(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)cc1
Show InChI InChI=1S/C26H29ClN8O/c1-34-10-12-35(13-11-34)23-6-2-19(3-7-23)16-29-9-8-20-4-5-21(14-24(20)27)32-26(36)33-25-18-30-22(15-28)17-31-25/h2-7,14,17-18,29H,8-13,16H2,1H3,(H2,31,32,33,36)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120927
PNG
(US8716287, 60)
Show SMILES COc1ccc(CNCc2ccc(NC(=O)Nc3cnc(cn3)C#N)c(OC)c2)cc1
Show InChI InChI=1S/C22H22N6O3/c1-30-18-6-3-15(4-7-18)11-24-12-16-5-8-19(20(9-16)31-2)27-22(29)28-21-14-25-17(10-23)13-26-21/h3-9,13-14,24H,11-12H2,1-2H3,(H2,26,27,28,29)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120904
PNG
(US8716287, 37)
Show SMILES COc1cc(CCNCc2ccc(F)cc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H20ClFN6O2/c1-32-20-8-15(6-7-26-11-14-2-4-16(24)5-3-14)18(23)9-19(20)29-22(31)30-21-13-27-17(10-25)12-28-21/h2-5,8-9,12-13,26H,6-7,11H2,1H3,(H2,28,29,30,31)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323159
PNG
(US9630931, Example 19)
Show SMILES COc1cc(CCNCC(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
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SENTINEL ONCOLOGY LIMITED

US Patent




US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120876
PNG
(US8716287, 9)
Show SMILES Fc1cccc(CNCCc2ccc(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)c1
Show InChI InChI=1S/C21H18ClFN6O/c22-19-9-17(28-21(30)29-20-13-26-18(10-24)12-27-20)5-4-15(19)6-7-25-11-14-2-1-3-16(23)8-14/h1-5,8-9,12-13,25H,6-7,11H2,(H2,27,28,29,30)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120898
PNG
(US8716287, 31)
Show SMILES COc1cc(CCNCCc2ccc(F)cc2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H23FN6O2/c1-32-21-12-17(9-11-26-10-8-16-2-5-18(24)6-3-16)4-7-20(21)29-23(31)30-22-15-27-19(13-25)14-28-22/h2-7,12,14-15,26H,8-11H2,1H3,(H2,28,29,30,31)
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Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120923
PNG
(US8716287, 56)
Show SMILES COc1cc(CNCc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H19ClN6O2/c1-30-19-7-15(11-24-10-14-5-3-2-4-6-14)17(22)8-18(19)27-21(29)28-20-13-25-16(9-23)12-26-20/h2-8,12-13,24H,10-11H2,1H3,(H2,26,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/an/an/an/a7.5n/a



Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair
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