BDBM50068384 CHEMBL3402345

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

InChI Key: InChIKey=FIYSRWMQFCJCGA-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 = 50068384   

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))	BDBM50068384 (CHEMBL3402345) Show SMILES CC(C)(C)C(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C21H20F2N2O2S/c1-20(2,3)19(26)25-21(10-11-27-17-7-5-4-6-15(17)21)28-18(24-25)14-12-13(22)8-9-16(14)23/h4-9,12H,10-11H2,1-3H3	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