BDBM24632 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile::pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 11

SMILES: CC(C)Nc1cc(Cl)nc2c(cnn12)C#N

InChI Key: InChIKey=HFTLYNKTSANXFA-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 24632   

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 2 (CDK2) (Homo sapiens (Human))	BDBM24632 (5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimi...) Show SMILES CC(C)Nc1cc(Cl)nc2c(cnn12)C#N Show InChI InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem	DrugBank PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....				J Med Chem 51: 4986-99 (2008) Article DOI: 10.1021/jm800382h BindingDB Entry DOI: 10.7270/Q24X563W
					More data for this Ligand-Target Pair				3D Structure (crystal)