BindingDB logo
myBDB logout

17 similar compounds to monomer 120922

Compile data set for download or QSAR
Wt: 400.8
BDBM14629
Wt: 436.8
BDBM120879
Wt: 436.8
BDBM120882
Wt: 436.8
BDBM120883
Wt: 454.8
BDBM120886
Wt: 454.8
BDBM120904
Wt: 468.9
BDBM120912
Wt: 482.9
BDBM120913
Wt: 466.9
BDBM120915
Wt: 466.9
BDBM120916
Wt: 535.0
BDBM120917
Wt: 535.0
BDBM120919
Wt: 480.9
BDBM120920
Wt: 480.9
BDBM120921
Wt: 422.8
BDBM120923
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 14629,120879,120882,120883,120886,120904,120912,120913,120915,120916,120917,120919,120920,120921,120923   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14629
PNG
(1-[5-chloro-2-methoxy-4-(piperidin-1-ylmethyl)phen...)
Show SMILES COc1cc(CN2CCCCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C19H21ClN6O2/c1-28-17-7-13(12-26-5-3-2-4-6-26)15(20)8-16(17)24-19(27)25-18-11-22-14(9-21)10-23-18/h7-8,10-11H,2-6,12H2,1H3,(H2,23,24,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
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))
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))
BDBM120883
PNG
(US8716287, 16)
Show SMILES COc1ccccc1CNCCc1ccc(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
Show InChI InChI=1S/C22H21ClN6O2/c1-31-20-5-3-2-4-16(20)12-25-9-8-15-6-7-17(10-19(15)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 13n/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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM120879
PNG
(US8716287, 12)
Show SMILES COc1cccc(CNCCc2ccc(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)c1
Show InChI InChI=1S/C22H21ClN6O2/c1-31-19-4-2-3-15(9-19)12-25-8-7-16-5-6-17(10-20(16)23)28-22(30)29-21-14-26-18(11-24)13-27-21/h2-6,9-10,13-14,25H,7-8,12H2,1H3,(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 11n/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