BDBM50192077 23-hydroxy-16-oxa-8-thia-9,22,24-triazapentacyclo[15.6.2.1^{6,9}.0^{2,7}.0^{21,25}]hexacosa-1(24),2(7),3,5,17(25),18,20,22-octaen-26-one::CHEMBL424722

SMILES: O=c1n2CCCCCCOc3cccc4[nH]c(=O)c(nc34)-c3cccc1c3s2

InChI Key: InChIKey=WLXSYMSJLJBZND-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 = 50192077   

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))	BDBM50192077 (23-hydroxy-16-oxa-8-thia-9,22,24-triazapentacyclo[...) Show SMILES O=c1n2CCCCCCOc3cccc4[nH]c(=O)c(nc34)-c3cccc1c3s2 Show InChI InChI=1S/C21H19N3O3S/c25-20-17-13-7-5-8-14-19(13)28-24(21(14)26)11-3-1-2-4-12-27-16-10-6-9-15(22-20)18(16)23-17/h5-10H,1-4,11-12H2,(H,22,25)	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	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