BDBM117322 US8653087, III-2

SMILES: COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc1C(F)(F)F

InChI Key: InChIKey=IZIOAZDJRVWQEA-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 = 117322   

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))	BDBM117322 (US8653087, III-2) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc1C(F)(F)F Show InChI InChI=1S/C26H24F3N7O3/c1-15-3-4-16(24(37)33-17-5-6-21(38-2)18(12-17)26(27,28)29)11-19(15)34-23-22-20(31-14-32-23)13-30-25(35-22)36-7-9-39-10-8-36/h3-6,11-14H,7-10H2,1-2H3,(H,33,37)(H,31,32,34)	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