BDBM50068393 CHEMBL3403383

SMILES: CC(=O)N1N=C(S[C@@]11[C@H](CCN)COc2ccccc12)c1cc(F)ccc1F

InChI Key: InChIKey=PAIDEOHMWDDWTK-ZUOKHONESA-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 = 50068393   

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))	BDBM50068393 (CHEMBL3403383) Show SMILES CC(=O)N1N=C(S[C@@]11[C@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C20H19F2N3O2S/c1-12(26)25-20(28-19(24-25)15-10-14(21)6-7-17(15)22)13(8-9-23)11-27-18-5-3-2-4-16(18)20/h2-7,10,13H,8-9,11,23H2,1H3/t13-,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	205	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