BDBM50482975 CHEMBL1270613

SMILES: CNC(=O)c1cn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21

InChI Key: InChIKey=VLBVJPDXCSRGGN-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 = 50482975   

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))	BDBM50482975 (CHEMBL1270613) Show SMILES CNC(=O)c1cn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21 Show InChI InChI=1S/C25H28N6O2/c1-26-23(32)20-15-30(2)22-19(20)9-8-17-14-27-25(29-21(17)22)28-18-10-12-31(13-11-18)24(33)16-6-4-3-5-7-16/h3-7,14-15,18H,8-13H2,1-2H3,(H,26,32)(H,27,28,29)	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	25	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