BDBM50068358 CHEMBL3402342

SMILES: CC(=O)N1N=C(SC11CCN(C(C)=O)c2ccccc12)c1cc(F)ccc1F

InChI Key: InChIKey=KLSJYXRHPFHDGE-UHFFFAOYSA-N

Data: 1 EC50

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 = 50068358   

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
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM50068358 (CHEMBL3402342) Show SMILES CC(=O)N1N=C(SC11CCN(C(C)=O)c2ccccc12)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C20H17F2N3O2S/c1-12(26)24-10-9-20(16-5-3-4-6-18(16)24)25(13(2)27)23-19(28-20)15-11-14(21)7-8-17(15)22/h3-8,11H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay				Bioorg Med Chem 23: 2424-34 (2015) Article DOI: 10.1016/j.bmc.2015.03.052 BindingDB Entry DOI: 10.7270/Q24F1SF2
					More data for this Ligand-Target Pair