BDBM50438550 CHEMBL2413133

SMILES: CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C

InChI Key: InChIKey=IGZKHHOXFSBWRT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50438550   

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
Centromere-associated protein E (Homo sapiens (Human))	BDBM50438550 (CHEMBL2413133) Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C Show InChI InChI=1S/C23H17Cl2FN2O2S/c1-27(10-13-3-8-18(24)19(25)9-13)23(30)21-20(14-4-6-15(26)7-5-14)16-11-31-12-17(16)22(29)28(21)2/h3-9,11-12H,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay				Bioorg Med Chem 21: 5488-502 (2013) Article DOI: 10.1016/j.bmc.2013.05.067 BindingDB Entry DOI: 10.7270/Q20G3MKN
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50438550 (CHEMBL2413133) Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C Show InChI InChI=1S/C23H17Cl2FN2O2S/c1-27(10-13-3-8-18(24)19(25)9-13)23(30)21-20(14-4-6-15(26)7-5-14)16-11-31-12-17(16)22(29)28(21)2/h3-9,11-12H,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of ATPase activity of CENP-E motor domain (unknown origin) by high throughput screening assay				Bioorg Med Chem 21: 5488-502 (2013) Article DOI: 10.1016/j.bmc.2013.05.067 BindingDB Entry DOI: 10.7270/Q20G3MKN
					More data for this Ligand-Target Pair