Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50035709' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50035709
(CHEMBL3359895)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant ChK1 (unknown origin) using AKT substrate by AlphaScreen assay |
Bioorg Med Chem Lett 24: 5704-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.063
BindingDB Entry DOI: 10.7270/Q2NS0WJC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50035709
(CHEMBL3359895)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50035709
(CHEMBL3359895)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ChK1 in human HT-29 cells assessed as phospho-histone H3 by Isobologram assay |
Bioorg Med Chem Lett 24: 5704-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.063
BindingDB Entry DOI: 10.7270/Q2NS0WJC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50035709
(CHEMBL3359895)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 in human HT29 cells assessed as phosphorylation of histone H3 after 24 hrs by checkpoint abrogation cellular assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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