BDBM117710 US8653087, III-390

SMILES: COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc1C(F)(F)F

InChI Key: InChIKey=MFUAIHHAZLTFMJ-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 = 117710   

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))	BDBM117710 (US8653087, III-390) Show SMILES COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C25H21F4N7O3/c1-38-20-5-3-14(9-16(20)25(27,28)29)33-23(37)13-2-4-17(26)18(8-13)35-22-21-19(31-12-32-22)10-30-24(36-21)34-15-6-7-39-11-15/h2-5,8-10,12,15H,6-7,11H2,1H3,(H,33,37)(H,30,34,36)(H,31,32,35)	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