BDBM117278 US8653087, I-65

SMILES: CN1C[C@H]2C[C@@H]1CN2c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1

InChI Key: InChIKey=HPAYREWHZRBBMH-RTBURBONSA-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 = 117278   

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))	BDBM117278 (US8653087, I-65) Show SMILES CN1C[C@H]2C[C@@H]1CN2c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C27H26F3N9O/c1-14-6-7-15(25(40)34-17-5-3-4-16(9-17)27(28,29)30)8-20(14)35-24-22-21(32-13-33-24)23(31)37-26(36-22)39-12-18-10-19(39)11-38(18)2/h3-9,13,18-19H,10-12H2,1-2H3,(H,34,40)(H2,31,36,37)(H,32,33,35)/t18-,19-/m1/s1	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