BDBM50068397 CHEMBL3403387

SMILES: CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(F)cc12)c1cc(F)ccc1F

InChI Key: InChIKey=KFXNELORCIYYJO-ODXCJYRJSA-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 = 50068397   

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))	BDBM50068397 (CHEMBL3403387) Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(F)cc12)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C20H18F3N3O2S/c1-11(27)26-20(29-19(25-26)15-8-13(21)2-4-17(15)23)12(6-7-24)10-28-18-5-3-14(22)9-16(18)20/h2-5,8-9,12H,6-7,10,24H2,1H3/t12-,20+/m1/s1	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	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