BDBM50482927 CHEMBL1270710

SMILES: COc1cccc(CNc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1

InChI Key: InChIKey=GCEJQMWZAFXILZ-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 = 50482927   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50482927 (CHEMBL1270710) Show SMILES COc1cccc(CNc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C20H21N5O2/c1-25-11-16(19(21)26)15-7-6-13-10-23-20(24-17(13)18(15)25)22-9-12-4-3-5-14(8-12)27-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A				Bioorg Med Chem Lett 20: 6764-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.131 BindingDB Entry DOI: 10.7270/Q2X069V6
					More data for this Ligand-Target Pair