BDBM92864 KSP Inhibitor, 4c

SMILES: OC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OCc4ccccc4)cc3)nc2c1

InChI Key: InChIKey=POPYQFMVLKUZMS-UHFFFAOYSA-N

Data: 1 Kd

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 = 92864   

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 spindle protein (Homo sapiens (Human))	BDBM92864 (KSP Inhibitor, 4c) Show SMILES OC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OCc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C29H22F3N3O3/c30-29(31,32)24-9-5-4-8-21(24)17-35-26-15-10-20(27(36)37)16-25(26)34-28(35)33-22-11-13-23(14-12-22)38-18-19-6-2-1-3-7-19/h1-16H,17-18H2,(H,33,34)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair