BDBM50068357 CHEMBL3402343

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

InChI Key: InChIKey=MDDQGDJGSXWQBN-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 = 50068357   

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))	BDBM50068357 (CHEMBL3402343) Show SMILES CCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5| Show InChI InChI=1S/C19H16F2N2O2S/c1-2-17(24)23-19(9-10-25-16-6-4-3-5-14(16)19)26-18(22-23)13-11-12(20)7-8-15(13)21/h3-8,11H,2,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	452	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