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SMILES: CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(F)(F)F)c3n2)CC1

InChI Key: InChIKey=JXNANVRQOVBMQP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117737   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM117737
PNG
(US8653087, III-417)
Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(F)(F)F)c3n2)CC1
Show InChI InChI=1S/C32H36F3N9O/c1-21-6-7-23(30(45)39-25-5-3-4-24(17-25)32(33,34)35)16-26(21)40-29-28-27(37-20-38-29)18-36-31(41-28)44-14-12-43(13-15-44)19-22-8-10-42(2)11-9-22/h3-7,16-18,20,22H,8-15,19H2,1-2H3,(H,39,45)(H,37,38,40)
PDB

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a<1n/an/an/an/a7.5n/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