BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'boyle' and Initial = 'rg'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase 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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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
Show InChI InChI=1/C20H24ClN7O3/c1-30-18-6-13(2-3-23-10-15-11-24-4-5-31-15)16(21)7-17(18)27-20(29)28-19-12-25-14(8-22)9-26-19/h6-7,9,12,15,23-24H,2-5,10-11H2,1H3,(H2,26,27,28,29)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.0500n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/C21H26ClN7O2/c1-31-19-7-15(4-6-25-11-14-3-2-5-24-10-14)17(22)8-18(19)28-21(30)29-20-13-26-16(9-23)12-27-20/h7-8,12-14,24-25H,2-6,10-11H2,1H3,(H2,27,28,29,30)/t14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.0600n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/C20H24ClN7O3/c1-30-18-6-13(2-3-23-10-15-11-24-4-5-31-15)16(21)7-17(18)27-20(29)28-19-12-25-14(8-22)9-26-19/h6-7,9,12,15,23-24H,2-5,10-11H2,1H3,(H2,26,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.0900n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/C21H26ClN7O2/c1-31-19-7-15(4-6-25-11-14-3-2-5-24-10-14)17(22)8-18(19)28-21(30)29-20-13-26-16(9-23)12-27-20/h7-8,12-14,24-25H,2-6,10-11H2,1H3,(H2,27,28,29,30)/t14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.100n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1S/C21H26ClN7O2/c1-31-19-8-15(4-7-25-11-14-2-5-24-6-3-14)17(22)9-18(19)28-21(30)29-20-13-26-16(10-23)12-27-20/h8-9,12-14,24-25H,2-7,11H2,1H3,(H2,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.100n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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
Show InChI InChI=1/C20H24ClN7O3/c1-30-18-6-13(2-3-23-10-15-11-24-4-5-31-15)16(21)7-17(18)27-20(29)28-19-12-25-14(8-22)9-26-19/h6-7,9,12,15,23-24H,2-5,10-11H2,1H3,(H2,26,27,28,29)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.140n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1S/C23H28ClN7O4/c1-15(2)35-20-9-16(3-4-26-14-22(32)31-5-7-34-8-6-31)18(24)10-19(20)29-23(33)30-21-13-27-17(11-25)12-28-21/h9-10,12-13,15,26H,3-8,14H2,1-2H3,(H2,28,29,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.210n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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
Show InChI InChI=1/C23H30ClN7O4S/c1-15(16-5-8-31(9-6-16)36(3,33)34)26-7-4-17-10-21(35-2)20(11-19(17)24)29-23(32)30-22-14-27-18(12-25)13-28-22/h10-11,13-16,26H,4-9H2,1-3H3,(H2,28,29,30,32)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.270n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/C23H30ClN7O4S/c1-15(16-5-8-31(9-6-16)36(3,33)34)26-7-4-17-10-21(35-2)20(11-19(17)24)29-23(32)30-22-14-27-18(12-25)13-28-22/h10-11,13-16,26H,4-9H2,1-3H3,(H2,28,29,30,32)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.280n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.280n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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
Show InChI InChI=1/C24H28ClN7O4/c1-35-21-8-16(4-5-27-12-18-14-32(6-7-36-18)23(33)15-2-3-15)19(25)9-20(21)30-24(34)31-22-13-28-17(10-26)11-29-22/h8-9,11,13,15,18,27H,2-7,12,14H2,1H3,(H2,29,30,31,34)/t18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.400n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q29C70J1
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.450n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.450n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.470n/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))
BDBM323170
PNG
(US9630931, Example 28)
Show SMILES COc1cc(CCN[C@@H](C)C(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1/C22H26ClN7O4/c1-14(21(31)30-5-7-34-8-6-30)25-4-3-15-9-19(33-2)18(10-17(15)23)28-22(32)29-20-13-26-16(11-24)12-27-20/h9-10,12-14,25H,3-8H2,1-2H3,(H2,27,28,29,32)/t14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.480n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.480n/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))
BDBM323156
PNG
(US9630931, Example 18)
Show SMILES COc1cc(CCN[C@@H](C)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1/C22H28ClN7O3/c1-15(14-30-5-7-33-8-6-30)25-4-3-16-9-20(32-2)19(10-18(16)23)28-22(31)29-21-13-26-17(11-24)12-27-21/h9-10,12-13,15,25H,3-8,14H2,1-2H3,(H2,27,28,29,31)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.520n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.560n/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))
BDBM323168
PNG
(US9630931, Example 26)
Show SMILES COc1cc(CCNCC(=O)N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H27ClN8O3/c1-30-5-7-31(8-6-30)21(32)14-25-4-3-15-9-19(34-2)18(10-17(15)23)28-22(33)29-20-13-26-16(11-24)12-27-20/h9-10,12-13,25H,3-8,14H2,1-2H3,(H2,27,28,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.580n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q29C70J1
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
Show InChI InChI=1S/C21H26ClN7O4/c1-31-19-11-18(33-7-3-24-2-4-29-5-8-32-9-6-29)16(22)10-17(19)27-21(30)28-20-14-25-15(12-23)13-26-20/h10-11,13-14,24H,2-9H2,1H3,(H2,26,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.610n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/C26H32ClN7O3/c1-16(17-6-9-34(10-7-17)25(35)18-3-4-18)29-8-5-19-11-23(37-2)22(12-21(19)27)32-26(36)33-24-15-30-20(13-28)14-31-24/h11-12,14-18,29H,3-10H2,1-2H3,(H2,31,32,33,36)/t16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.650n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1S/C22H29ClN8O2/c1-30-7-9-31(10-8-30)6-5-25-4-3-16-11-20(33-2)19(12-18(16)23)28-22(32)29-21-15-26-17(13-24)14-27-21/h11-12,14-15,25H,3-10H2,1-2H3,(H2,27,28,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.690n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.730n/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))
BDBM323145
PNG
(US9630931, Example 8)
Show SMILES CC(C)Oc1cc(CCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H30ClN7O3/c1-16(2)34-21-11-17(3-4-26-5-6-31-7-9-33-10-8-31)19(24)12-20(21)29-23(32)30-22-15-27-18(13-25)14-28-22/h11-12,14-16,26H,3-10H2,1-2H3,(H2,28,29,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.75n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1S/C21H26ClN7O3/c1-31-19-10-15(2-3-24-4-5-29-6-8-32-9-7-29)17(22)11-18(19)27-21(30)28-20-14-25-16(12-23)13-26-20/h10-11,13-14,24H,2-9H2,1H3,(H2,26,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.800n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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
Show InChI InChI=1/C22H28ClN7O3/c1-15(14-30-5-7-33-8-6-30)25-4-3-16-9-20(32-2)19(10-18(16)23)28-22(31)29-21-13-26-17(11-24)12-27-21/h9-10,12-13,15,25H,3-8,14H2,1-2H3,(H2,27,28,29,31)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.10n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/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))
BDBM323159
PNG
(US9630931, Example 19)
Show SMILES COc1cc(CCNCC(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H24ClN7O4/c1-32-18-8-14(2-3-24-13-20(30)29-4-6-33-7-5-29)16(22)9-17(18)27-21(31)28-19-12-25-15(10-23)11-26-19/h8-9,11-12,24H,2-7,13H2,1H3,(H2,26,27,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.90n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.70n/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))
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
GoogleScholar
PC cid
PC sid
UniChem

Similars

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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120887
PNG
(US8716287, 20)
Show SMILES COc1cc(CCNCc2ccc(F)cc2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H21FN6O2/c1-31-20-10-15(8-9-25-12-16-2-5-17(23)6-3-16)4-7-19(20)28-22(30)29-21-14-26-18(11-24)13-27-21/h2-7,10,13-14,25H,8-9,12H2,1H3,(H2,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323171
PNG
(US9630931, Example 30)
Show SMILES CC(C)Oc1cc(CCN[C@@H](C)C(=O)N2CCOCC2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1/C24H31N7O4/c1-16(2)35-21-12-18(6-7-26-17(3)23(32)31-8-10-34-11-9-31)4-5-20(21)29-24(33)30-22-15-27-19(13-25)14-28-22/h4-5,12,14-17,26H,6-11H2,1-3H3,(H2,28,29,30,33)/t17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.90n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120900
PNG
(US8716287, 33)
Show SMILES COc1cc(OCCNCc2ccc(F)cc2F)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H20F2N6O3/c1-32-20-9-17(33-7-6-26-11-14-2-3-15(23)8-18(14)24)4-5-19(20)29-22(31)30-21-13-27-16(10-25)12-28-21/h2-5,8-9,12-13,26H,6-7,11H2,1H3,(H2,28,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/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))
BDBM120918
PNG
(US8716287, 51)
Show SMILES COc1cc(CCNCc2ccc(cc2)N2CCN(C)CC2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C27H32N8O2/c1-34-11-13-35(14-12-34)23-6-3-21(4-7-23)17-29-10-9-20-5-8-24(25(15-20)37-2)32-27(36)33-26-19-30-22(16-28)18-31-26/h3-8,15,18-19,29H,9-14,17H2,1-2H3,(H2,31,32,33,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.30n/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))
BDBM120910
PNG
(US8716287, 43)
Show SMILES COc1cc(CCN[C@H](C)c2ccc(F)cc2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1/C23H23FN6O2/c1-15(17-4-6-18(24)7-5-17)26-10-9-16-3-8-20(21(11-16)32-2)29-23(31)30-22-14-27-19(12-25)13-28-22/h3-8,11,13-15,26H,9-10H2,1-2H3,(H2,28,29,30,31)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.30n/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))
BDBM120882
PNG
(US8716287, 15)
Show SMILES COc1ccc(CNCCc2ccc(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)cc1
Show InChI InChI=1S/C22H21ClN6O2/c1-31-19-6-2-15(3-7-19)12-25-9-8-16-4-5-17(10-20(16)23)28-22(30)29-21-14-26-18(11-24)13-27-21/h2-7,10,13-14,25H,8-9,12H2,1H3,(H2,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.5n/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))
BDBM120888
PNG
(US8716287, 21)
Show SMILES COc1cc(OCCNCc2ccc(F)cc2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H21FN6O3/c1-31-20-10-18(32-9-8-25-12-15-2-4-16(23)5-3-15)6-7-19(20)28-22(30)29-21-14-26-17(11-24)13-27-21/h2-7,10,13-14,25H,8-9,12H2,1H3,(H2,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.10n/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))
BDBM120911
PNG
(US8716287, 44)
Show SMILES COc1cc(CCN[C@@H](C)c2ccc(F)cc2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1/C23H23FN6O2/c1-15(17-4-6-18(24)7-5-17)26-10-9-16-3-8-20(21(11-16)32-2)29-23(31)30-22-14-27-19(12-25)13-28-22/h3-8,11,13-15,26H,9-10H2,1-2H3,(H2,28,29,30,31)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.10n/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))
BDBM120897
PNG
(US8716287, 30)
Show SMILES COc1cc(CCNCc2ccc(F)cc2F)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H20F2N6O2/c1-32-20-8-14(6-7-26-11-15-3-4-16(23)9-18(15)24)2-5-19(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.40n/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))
BDBM323161
PNG
(US9630931, Example 20)
Show SMILES CC(C)Oc1cc(CCNC(=O)[C@H]2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1/C22H26ClN7O4/c1-13(2)34-18-7-14(3-4-26-21(31)19-11-25-5-6-33-19)16(23)8-17(18)29-22(32)30-20-12-27-15(9-24)10-28-20/h7-8,10,12-13,19,25H,3-6,11H2,1-2H3,(H,26,31)(H2,28,29,30,32)/t19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.10n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120928
PNG
(US8716287, 61)
Show SMILES COc1cccc(CNCc2ccc(NC(=O)Nc3cnc(cn3)C#N)c(OC)c2)c1
Show InChI InChI=1S/C22H22N6O3/c1-30-18-5-3-4-15(8-18)11-24-12-16-6-7-19(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.5n/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
Displayed 1 to 50 (of 134 total )  |  Next  |  Last  >>
Jump to: