BDBM50390638 CHEMBL2069711

SMILES: NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1

InChI Key: InChIKey=GKGZVFYMXSXLJJ-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 = 50390638   

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))	BDBM50390638 (CHEMBL2069711) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)	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	PDB Article PubMed	n/a	n/a	551	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair				3D Structure (crystal)