BindingDB logo
myBDB logout

15 molecules are shown

Wt: 199.2
BDBM50243262
Purchase
Wt: 264.2
BDBM50325144
Wt: 265.2
BDBM50325145
Wt: 291.3
BDBM50325143
Wt: 300.3
BDBM50325159
Wt: 290.3
BDBM50325160
Wt: 318.3
BDBM50325165
Wt: 314.3
BDBM50325166
Wt: 319.3
BDBM50325167
Wt: 305.3
BDBM50325168
Wt: 305.3
BDBM50325169
Wt: 305.3
BDBM50325170
Wt: 276.2
BDBM50325171
Wt: 276.2
BDBM50325172
Wt: 292.2
BDBM50379571

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50243262,50325144,50325145,50325143,50325159,50325160,50325165,50325166,50325167,50325168,50325169,50325170,50325171,50325172,50379571   
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)
BDBM50243262
PNG
(5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE |...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2ccccc12
Show InChI InChI=1S/C11H9N3O/c1-7-6-10-12-13-11(15)14(10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379571
PNG
(CHEMBL2012884)
Show SMILES OCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C16H12N4O2/c21-9-12-8-15-18-19-16(22)20(15)14-7-11(1-2-13(12)14)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325144
PNG
(5-methyl-8-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cc[nH]c1
Show InChI InChI=1S/C15H12N4O/c1-9-6-14-17-18-15(20)19(14)13-7-10(2-3-12(9)13)11-4-5-16-8-11/h2-8,16H,1H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325166
PNG
(2-(4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CC#N)cc1
Show InChI InChI=1S/C19H14N4O/c1-12-10-18-21-22-19(24)23(18)17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-20/h2-7,10-11H,8H2,1H3,(H,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 210n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325165
PNG
(5-methyl-8-(4-((methylamino)methyl)phenyl)-[1,2,4]...)
Show SMILES CNCc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1
Show InChI InChI=1S/C19H18N4O/c1-12-9-18-21-22-19(24)23(18)17-10-15(7-8-16(12)17)14-5-3-13(4-6-14)11-20-2/h3-10,20H,11H2,1-2H3,(H,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 40n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325145
PNG
(5-methyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-11(8)12)10-6-15-16-7-10/h2-7H,1H3,(H,15,16)(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325171
PNG
(5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINO...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325170
PNG
(8-(2-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccccc1CO
Show InChI InChI=1S/C18H15N3O2/c1-11-8-17-19-20-18(23)21(17)16-9-12(6-7-14(11)16)15-5-3-2-4-13(15)10-22/h2-9,22H,10H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325169
PNG
(8-(4-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CO)cc1
Show InChI InChI=1S/C18H15N3O2/c1-11-8-17-19-20-18(23)21(17)16-9-14(6-7-15(11)16)13-4-2-12(10-22)3-5-13/h2-9,22H,10H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325168
PNG
(8-(3-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccc(CO)c1
Show InChI InChI=1S/C18H15N3O2/c1-11-7-17-19-20-18(23)21(17)16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-22/h2-9,22H,10H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325143
PNG
(8-(3-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccc(O)c1
Show InChI InChI=1S/C17H13N3O2/c1-10-7-16-18-19-17(22)20(16)15-9-12(5-6-14(10)15)11-3-2-4-13(21)8-11/h2-9,21H,1H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325172
PNG
(5-methyl-8-(pyridin-3-yl)-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H12N4O/c1-10-7-15-18-19-16(21)20(15)14-8-11(4-5-13(10)14)12-3-2-6-17-9-12/h2-9H,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325160
PNG
(8-(2-aminophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]q...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccccc1N
Show InChI InChI=1S/C17H14N4O/c1-10-8-16-19-20-17(22)21(16)15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)18/h2-9H,18H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.44E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325159
PNG
(4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H12N4O/c1-11-8-17-20-21-18(23)22(17)16-9-14(6-7-15(11)16)13-4-2-12(10-19)3-5-13/h2-9H,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325169
PNG
(8-(4-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CO)cc1
Show InChI InChI=1S/C18H15N3O2/c1-11-8-17-19-20-18(23)21(17)16-9-14(6-7-15(11)16)13-4-2-12(10-22)3-5-13/h2-9,22H,10H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243262
PNG
(5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE |...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2ccccc12
Show InChI InChI=1S/C11H9N3O/c1-7-6-10-12-13-11(15)14(10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325167
PNG
(8-(4-(methoxymethyl)phenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES COCc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1
Show InChI InChI=1S/C19H17N3O2/c1-12-9-18-20-21-19(23)22(18)17-10-15(7-8-16(12)17)14-5-3-13(4-6-14)11-24-2/h3-10H,11H2,1-2H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.49E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)