BDBM117740 US8653087, III-420

SMILES: CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1

InChI Key: InChIKey=MSOJNDDNWYJKLW-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 = 117740   

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))	BDBM117740 (US8653087, III-420) Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1 Show InChI InChI=1S/C32H42N10O2/c1-21-6-7-23(30(43)37-27-17-26(44-39-27)32(2,3)4)16-24(21)36-29-28-25(34-20-35-29)18-33-31(38-28)42-14-12-41(13-15-42)19-22-8-10-40(5)11-9-22/h6-7,16-18,20,22H,8-15,19H2,1-5H3,(H,34,35,36)(H,37,39,43)	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
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