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5 similar compounds to monomer 102619

Compile data set for download or QSAR
Wt: 335.3
BDBM50309206
Wt: 366.4
BDBM50309183
Wt: 382.4
BDBM50309188
Wt: 352.3
BDBM50309193
Wt: 349.3
BDBM50309194

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50309206,50309183,50309188,50309193,50309194   
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))
BDBM50309194
PNG
(4-(2-Amino-5-(3,4-dimethoxyphenyl)pyridin-3-yl)ben...)
Show SMILES COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C20H19N3O3/c1-25-17-8-7-14(10-18(17)26-2)15-9-16(19(21)23-11-15)12-3-5-13(6-4-12)20(22)24/h3-11H,1-2H3,(H2,21,23)(H2,22,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


Bioorg Med Chem 18: 707-18 (2010)


Article DOI: 10.1016/j.bmc.2009.11.058
BindingDB Entry DOI: 10.7270/Q26974J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50309206
PNG
(4-(2-Amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-...)
Show SMILES COc1cc(ccc1O)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


Bioorg Med Chem 18: 707-18 (2010)


Article DOI: 10.1016/j.bmc.2009.11.058
BindingDB Entry DOI: 10.7270/Q26974J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309183
PNG
(4-(2-amino-5-(3,5-dimethoxy-4-methylphenyl)pyridin...)
Show SMILES COc1cc(cc(OC)c1C)-c1cnc(N)c(c1)-c1ccc(O)c(OC)c1
Show InChI InChI=1S/C21H22N2O4/c1-12-18(25-2)9-14(10-19(12)26-3)15-7-16(21(22)23-11-15)13-5-6-17(24)20(8-13)27-4/h5-11,24H,1-4H3,(H2,22,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 in human HT29 cells


Bioorg Med Chem 18: 707-18 (2010)


Article DOI: 10.1016/j.bmc.2009.11.058
BindingDB Entry DOI: 10.7270/Q26974J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309194
PNG
(4-(2-Amino-5-(3,4-dimethoxyphenyl)pyridin-3-yl)ben...)
Show SMILES COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C20H19N3O3/c1-25-17-8-7-14(10-18(17)26-2)15-9-16(19(21)23-11-15)12-3-5-13(6-4-12)20(22)24/h3-11H,1-2H3,(H2,21,23)(H2,22,24)
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n/an/a 270n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 in human HT29 cells


Bioorg Med Chem 18: 707-18 (2010)


Article DOI: 10.1016/j.bmc.2009.11.058
BindingDB Entry DOI: 10.7270/Q26974J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309193
PNG
(4-(2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)14-8-16(20(21)22-11-14)12-4-6-15(23)7-5-12/h4-11,23H,1-3H3,(H2,21,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 in human HT29 cells


Bioorg Med Chem 18: 707-18 (2010)


Article DOI: 10.1016/j.bmc.2009.11.058
BindingDB Entry DOI: 10.7270/Q26974J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309206
PNG
(4-(2-Amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-...)
Show SMILES COc1cc(ccc1O)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24)
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n/an/a 310n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 in human HT29 cells


Bioorg Med Chem 18: 707-18 (2010)


Article DOI: 10.1016/j.bmc.2009.11.058
BindingDB Entry DOI: 10.7270/Q26974J2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309188
PNG
(4-(2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)...)
Show SMILES COc1cc(ccc1O)-c1cc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)15-7-14(11-23-21(15)22)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 in human HT29 cells


Bioorg Med Chem 18: 707-18 (2010)


Article DOI: 10.1016/j.bmc.2009.11.058
BindingDB Entry DOI: 10.7270/Q26974J2
More data for this
Ligand-Target Pair