BDBM50435025 CHEMBL2391101

SMILES: CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1

InChI Key: InChIKey=XOXJFSRAOYMCPS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50435025   

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
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50435025 (CHEMBL2391101) Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C17H13N5O2S/c1-11(23)20-15-8-14(5-6-19-15)16-21-22-17(24-16)25-10-13-4-2-3-12(7-13)9-18/h2-8H,10H2,1H3,(H,19,20,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant CK1epsilon by FRET assay				Eur J Med Chem 61: 26-40 (2013) Article DOI: 10.1016/j.ejmech.2012.06.006 BindingDB Entry DOI: 10.7270/Q2KD209T
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50435025 (CHEMBL2391101) Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C17H13N5O2S/c1-11(23)20-15-8-14(5-6-19-15)16-21-22-17(24-16)25-10-13-4-2-3-12(7-13)9-18/h2-8H,10H2,1H3,(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant AURKA by FRET assay				Eur J Med Chem 61: 26-40 (2013) Article DOI: 10.1016/j.ejmech.2012.06.006 BindingDB Entry DOI: 10.7270/Q2KD209T
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50435025 (CHEMBL2391101) Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C17H13N5O2S/c1-11(23)20-15-8-14(5-6-19-15)16-21-22-17(24-16)25-10-13-4-2-3-12(7-13)9-18/h2-8H,10H2,1H3,(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p35 by FRET assay				Eur J Med Chem 61: 26-40 (2013) Article DOI: 10.1016/j.ejmech.2012.06.006 BindingDB Entry DOI: 10.7270/Q2KD209T
					More data for this Ligand-Target Pair