BDBM117708 US8653087, III-388

SMILES: CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1)C(F)(F)F

InChI Key: InChIKey=FNTMBSGOSLNBSV-UHFFFAOYSA-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 = 117708   

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
B-RAF V600E (Homo sapiens (Human))	BDBM117708 (US8653087, III-388) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H29F4N9O2/c1-41-5-7-42(8-6-41)21-12-18(29(31,32)33)11-20(13-21)37-27(43)17-2-3-22(30)23(10-17)39-26-25-24(35-16-36-26)14-34-28(40-25)38-19-4-9-44-15-19/h2-3,10-14,16,19H,4-9,15H2,1H3,(H,37,43)(H,34,38,40)(H,35,36,39)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair