BDBM50192082 22-hydroxy-12-methyl-15-oxa-8-thia-9,12,21,23-tetraazapentacyclo[14.6.2.1^{6,9}.0^{2,7}.0^{20,24}]pentacosa-1(23),2(7),3,5,16(24),17,19,21-octaen-25-one hydrochloride::CHEMBL539855
SMILES: CN1CCOc2cccc3[nH]c(=O)c(nc23)-c2cccc3c2sn(CC1)c3=O
InChI Key: InChIKey=UBDJFWHIOPBJFY-UHFFFAOYSA-N
Data: 1 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 4 (Homo sapiens (Human)) | BDBM50192082 (22-hydroxy-12-methyl-15-oxa-8-thia-9,12,21,23-tetr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CDK4 | Bioorg Med Chem Lett 16: 5122-6 (2006) Article DOI: 10.1016/j.bmcl.2006.07.026 BindingDB Entry DOI: 10.7270/Q2K35VF0 | |||||||||||
More data for this Ligand-Target Pair |