BDBM50415037 CHEMBL576502

SMILES: COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@@H](C2)NC(C)=O)cc1

InChI Key: InChIKey=PUVVKKBHOWNLRX-GASCZTMLSA-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 = 50415037   

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 5 (CDK5) (Homo sapiens (Human))	BDBM50415037 (CHEMBL576502) Show SMILES COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@@H](C2)NC(C)=O)cc1 |r,wU:15.15,17.20,(2.53,9.19,;1,9.03,;.37,7.63,;-1.16,7.46,;-1.78,6.06,;-.88,4.81,;-1.51,3.41,;-.6,2.16,;.93,2.32,;-1.23,.75,;-.32,-.49,;-.8,-1.96,;.45,-2.86,;1.69,-1.96,;1.22,-.49,;.45,-4.4,;-.64,-5.49,;.45,-6.58,;1.54,-5.49,;.45,-8.12,;-.89,-8.89,;-.89,-10.43,;-2.22,-8.12,;.65,4.97,;1.28,6.38,)| Show InChI InChI=1S/C18H22N4O3/c1-12(23)20-14-8-15(9-14)22-10-17(19-11-22)21-18(24)7-13-3-5-16(25-2)6-4-13/h3-6,10-11,14-15H,7-9H2,1-2H3,(H,20,23)(H,21,24)/t14-,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CDK5/p25 by scintillation proximity assay				Bioorg Med Chem Lett 19: 5703-7 (2009) Article DOI: 10.1016/j.bmcl.2009.08.019 BindingDB Entry DOI: 10.7270/Q29G5P29
					More data for this Ligand-Target Pair