Found 5 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk2' and Ligand = 'BDBM50363645' 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 Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
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| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
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| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan State University
Curated by ChEMBL
| Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay |
Bioorg Med Chem 20: 1475-81 (2012)
Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of CHK2 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of Chk2 |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |