BDBM50068389 CHEMBL3402350

SMILES: NCCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F

InChI Key: InChIKey=SXZGRKDCSDLPKD-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 = 50068389   

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))	BDBM50068389 (CHEMBL3402350) Show SMILES NCCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C20H19F2N3O2S/c21-13-7-8-16(22)14(12-13)19-24-25(18(26)6-3-10-23)20(28-19)9-11-27-17-5-2-1-4-15(17)20/h1-2,4-5,7-8,12H,3,6,9-11,23H2	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	338	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