BindingDB logo
myBDB logout

14 molecules are shown

Wt: 347.3
BDBM50309197
Wt: 319.3
BDBM50309202
Wt: 333.3
BDBM50309203
Wt: 363.4
BDBM50309205
Wt: 335.3
BDBM50309206
Wt: 347.3
BDBM50309208
Wt: 319.3
BDBM50309210
Wt: 366.4
BDBM50309183
Wt: 363.4
BDBM50309186
Wt: 382.4
BDBM50309188
Wt: 289.3
BDBM50309189
Wt: 352.3
BDBM50309193
Wt: 349.3
BDBM50309194
Wt: 290.3
BDBM50309196

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50309197,50309202,50309203,50309205,50309206,50309208,50309210,50309183,50309186,50309188,50309189,50309193,50309194,50309196   
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)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 Chk1


(Homo sapiens)
BDBM50309208
PNG
(4-(2-Amino-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H17N3O3/c21-19-16(12-1-3-13(4-2-12)20(22)24)9-15(11-23-19)14-5-6-17-18(10-14)26-8-7-25-17/h1-6,9-11H,7-8H2,(H2,21,23)(H2,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90E+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)
BDBM50309186
PNG
(4-(2-Amino-5-(3-(2-methoxyethoxy)phenyl)pyridin-3-...)
Show SMILES COCCOc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H21N3O3/c1-26-9-10-27-18-4-2-3-16(11-18)17-12-19(20(22)24-13-17)14-5-7-15(8-6-14)21(23)25/h2-8,11-13H,9-10H2,1H3,(H2,22,24)(H2,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM50309189
PNG
(4-(2-amino-5-phenylpyridin-3-yl)benzamide | CHEMBL...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17-16(13-6-8-14(9-7-13)18(20)22)10-15(11-21-17)12-4-2-1-3-5-12/h1-11H,(H2,19,21)(H2,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.15E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of MNK1


J Med Chem 53: 6618-28 (2010)


Article DOI: 10.1021/jm1005513
BindingDB Entry DOI: 10.7270/Q2Z038CP
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309189
PNG
(4-(2-amino-5-phenylpyridin-3-yl)benzamide | CHEMBL...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17-16(13-6-8-14(9-7-13)18(20)22)10-15(11-21-17)12-4-2-1-3-5-12/h1-11H,(H2,19,21)(H2,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50309196
PNG
(4-(6-Amino-3,3'-bipyridin-5-yl)benzamide | CHEMBL6...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccnc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(11-3-5-12(6-4-11)17(19)22)8-14(10-21-16)13-2-1-7-20-9-13/h1-10H,(H2,18,21)(H2,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+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))
BDBM50309197
PNG
(4-(2-Amino-5-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc2OCCOc12
Show InChI InChI=1S/C20H17N3O3/c21-19-16(12-4-6-13(7-5-12)20(22)24)10-14(11-23-19)15-2-1-3-17-18(15)26-9-8-25-17/h1-7,10-11H,8-9H2,(H2,21,23)(H2,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+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))
BDBM50309202
PNG
(4-(2-Amino-5-(4-methoxyphenyl)pyridin-3-yl)benzami...)
Show SMILES COc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H17N3O2/c1-24-16-8-6-12(7-9-16)15-10-17(18(20)22-11-15)13-2-4-14(5-3-13)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+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))
BDBM50309203
PNG
(4-(2-Amino-5-(benzo[d][1,3]dioxol-5-yl)pyridin-3-y...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H15N3O3/c20-18-15(11-1-3-12(4-2-11)19(21)23)7-14(9-22-18)13-5-6-16-17(8-13)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+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))
BDBM50309205
PNG
(4-(2-Amino-5-(4-(2-methoxyethoxy)phenyl)pyridin-3-...)
Show SMILES COCCOc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H21N3O3/c1-26-10-11-27-18-8-6-14(7-9-18)17-12-19(20(22)24-13-17)15-2-4-16(5-3-15)21(23)25/h2-9,12-13H,10-11H2,1H3,(H2,22,24)(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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))
BDBM50309208
PNG
(4-(2-Amino-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H17N3O3/c21-19-16(12-1-3-13(4-2-12)20(22)24)9-15(11-23-19)14-5-6-17-18(10-14)26-8-7-25-17/h1-6,9-11H,7-8H2,(H2,21,23)(H2,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/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))
BDBM50309210
PNG
(4-(2-Amino-5-(3-methoxyphenyl)pyridin-3-yl)benzami...)
Show SMILES COc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H17N3O2/c1-24-16-4-2-3-14(9-16)15-10-17(18(20)22-11-15)12-5-7-13(8-6-12)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/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))
BDBM50309186
PNG
(4-(2-Amino-5-(3-(2-methoxyethoxy)phenyl)pyridin-3-...)
Show SMILES COCCOc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H21N3O3/c1-26-9-10-27-18-4-2-3-16(11-18)17-12-19(20(22)24-13-17)14-5-7-15(8-6-14)21(23)25/h2-8,11-13H,9-10H2,1H3,(H2,22,24)(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
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 Chk1


(Homo sapiens)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
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