BDBM50256044 5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,5-tetrahydroazepino[3,4-b]indol-1(10H)-one::CHEMBL481333::Hymenialdisine, 27d
SMILES: NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12
InChI Key: InChIKey=SMPPSGXPGZSJCP-UHFFFAOYSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-dependent kinase 5 regulatory subunit 1 (Homo sapiens (Human)) | BDBM50256044 (5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 177 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Genomics Institute of the Novartis Research Foundation | Assay Description In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk. | Chem Biol 11: 247-59 (2004) Article DOI: 10.1016/j.chembiol.2004.01.015 BindingDB Entry DOI: 10.7270/Q2FN14M9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human)) | BDBM50256044 (5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Chk2 | Eur J Med Chem 56: 246-253 (2012) Article DOI: 10.1016/j.ejmech.2012.08.022 BindingDB Entry DOI: 10.7270/Q2639R1G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM50256044 (5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 64 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Genomics Institute of the Novartis Research Foundation | Assay Description In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk. | Chem Biol 11: 247-59 (2004) Article DOI: 10.1016/j.chembiol.2004.01.015 BindingDB Entry DOI: 10.7270/Q2FN14M9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50256044 (5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Genomics Institute of the Novartis Research Foundation | Assay Description In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk. | Chem Biol 11: 247-59 (2004) Article DOI: 10.1016/j.chembiol.2004.01.015 BindingDB Entry DOI: 10.7270/Q2FN14M9 | |||||||||||
More data for this Ligand-Target Pair |