BDBM50435033 CHEMBL2391120

SMILES: [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=ILMCPEAFWSFNIE-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 = 50435033   

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))	BDBM50435033 (CHEMBL2391120) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C22H15N3O5S/c26-25(27)18-3-1-2-16(10-18)15-6-4-14(5-7-15)12-31-22-24-23-21(30-22)17-8-9-19-20(11-17)29-13-28-19/h1-11H,12-13H2	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))	BDBM50435033 (CHEMBL2391120) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C22H15N3O5S/c26-25(27)18-3-1-2-16(10-18)15-6-4-14(5-7-15)12-31-22-24-23-21(30-22)17-8-9-19-20(11-17)29-13-28-19/h1-11H,12-13H2	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))	BDBM50435033 (CHEMBL2391120) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C22H15N3O5S/c26-25(27)18-3-1-2-16(10-18)15-6-4-14(5-7-15)12-31-22-24-23-21(30-22)17-8-9-19-20(11-17)29-13-28-19/h1-11H,12-13H2	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