BDBM50110180 CHEMBL3604462

SMILES: COc1ccc(Nc2nccc(n2)-c2ccc3nc(C)n(C(C)C)c3c2)cc1

InChI Key: InChIKey=KEBMLXBFCRPVRB-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 = 50110180   

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/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50110180 (CHEMBL3604462) Show SMILES COc1ccc(Nc2nccc(n2)-c2ccc3nc(C)n(C(C)C)c3c2)cc1 Show InChI InChI=1S/C22H23N5O/c1-14(2)27-15(3)24-20-10-5-16(13-21(20)27)19-11-12-23-22(26-19)25-17-6-8-18(28-4)9-7-17/h5-14H,1-4H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	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