BDBM103307 US8546434, 4

SMILES: C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C

InChI Key: InChIKey=DPWFPLHTMSSYKU-NZUPQLOKSA-N

Data: 1 IC50

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 = 103307   

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))	BDBM103307 (US8546434, 4) Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r| Show InChI InChI=1S/C28H34F3N5O2/c1-17(37)27(38)35(16-19-13-32-14-23(19)31)24(28(2,3)4)26-33-25(21-12-20(29)10-11-22(21)30)34-36(26)15-18-8-6-5-7-9-18/h5-12,17,19,23-24,32,37H,13-16H2,1-4H3/t17-,19-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	37
Novartis AG US Patent					Assay Description In vitro activity assay using KSP.				US Patent US8546434 (2013) BindingDB Entry DOI: 10.7270/Q25D8QG9
					More data for this Ligand-Target Pair