BDBM50435039 CHEMBL2391118

SMILES: COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N

InChI Key: InChIKey=PPIPFZAGLGRLCJ-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 = 50435039   

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-like kinase 5 (Homo sapiens (Human))	BDBM50435039 (CHEMBL2391118) Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C24H17N3O4S/c1-28-19-7-8-20(18(10-19)12-25)16-4-2-15(3-5-16)13-32-24-27-26-23(31-24)17-6-9-21-22(11-17)30-14-29-21/h2-11H,13-14H2,1H3	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
Aurora kinase A (Homo sapiens (Human))	BDBM50435039 (CHEMBL2391118) Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C24H17N3O4S/c1-28-19-7-8-20(18(10-19)12-25)16-4-2-15(3-5-16)13-32-24-27-26-23(31-24)17-6-9-21-22(11-17)30-14-29-21/h2-11H,13-14H2,1H3	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	4.50E+4	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
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50435039 (CHEMBL2391118) Show SMILES COc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C24H17N3O4S/c1-28-19-7-8-20(18(10-19)12-25)16-4-2-15(3-5-16)13-32-24-27-26-23(31-24)17-6-9-21-22(11-17)30-14-29-21/h2-11H,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	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