BDBM117801 US8653087, III-481

SMILES: Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCN(CCCN2CCCC2)CC1)C(=O)Nc1cc(on1)C(C)(C)C

InChI Key: InChIKey=MQZZCLDVYACMRW-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 = 117801   

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))	BDBM117801 (US8653087, III-481) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCN(CCCN2CCCC2)CC1)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C32H42N10O2/c1-22-8-9-23(30(43)37-27-19-26(44-39-27)32(2,3)4)18-24(22)36-29-28-25(34-21-35-29)20-33-31(38-28)42-16-14-41(15-17-42)13-7-12-40-10-5-6-11-40/h8-9,18-21H,5-7,10-17H2,1-4H3,(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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