BDBM50267770 4-[(3,4-Dihydroxy-benzylamino)-methylene]-4H-isoquinoline-1,3-dione::CHEMBL450383
SMILES: Oc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O
InChI Key: InChIKey=IZEARPXQOBMDEK-UHFFFAOYSA-N
Data: 3 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 2 (Homo sapiens (Human)) | BDBM50267770 (4-[(3,4-Dihydroxy-benzylamino)-methylene]-4H-isoqu...) | 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 | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin E (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation | J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 4 (Homo sapiens (Human)) | BDBM50267770 (4-[(3,4-Dihydroxy-benzylamino)-methylene]-4H-isoqu...) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation | J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50267770 (4-[(3,4-Dihydroxy-benzylamino)-methylene]-4H-isoqu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of CDK1/Cyclin B1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation | J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7 | |||||||||||
More data for this Ligand-Target Pair |