BDBM50110181 CHEMBL3604463

SMILES: CC(C)n1c(C)nc2ccc(cc12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

InChI Key: InChIKey=MRYLLITXXQUJLZ-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 = 50110181   

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 1 (CDK1) (Homo sapiens (Human))	BDBM50110181 (CHEMBL3604463) Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C24H28N8/c1-16(2)32-17(3)28-21-6-4-18(14-22(21)32)20-8-9-26-24(29-20)30-23-7-5-19(15-27-23)31-12-10-25-11-13-31/h4-9,14-16,25H,10-13H2,1-3H3,(H,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclin B1 (unknown origin)				Bioorg Med Chem Lett 25: 3420-35 (2015) BindingDB Entry DOI: 10.7270/Q2736SQ1
					More data for this Ligand-Target Pair