BDBM50192080 9-methyl-8,9,10,11-tetrahydro-7H-16,18-(epiminomethano)-4,6-methanodibenzo[i,m][1,8,4,7,12]oxathiatriazacyclotetradecine-19,21-dione::CHEMBL1189501

SMILES: CN1CCOc2cccc3nc(O)c(nc23)-c2cccc3c(O)n(CC1)nc23

InChI Key: InChIKey=KHLVZMABUUVYGX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192080   

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))	BDBM50192080 (9-methyl-8,9,10,11-tetrahydro-7H-16,18-(epiminomet...) Show SMILES CN1CCOc2cccc3nc(O)c(nc23)-c2cccc3c(O)n(CC1)nc23 Show InChI InChI=1S/C20H19N5O3/c1-24-8-9-25-20(27)13-5-2-4-12(16(13)23-25)17-19(26)21-14-6-3-7-15(18(14)22-17)28-11-10-24/h2-7,23H,8-11H2,1H3,(H,21,26)	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	13	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