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

InChI Key: InChIKey=BEJBLIGQDMLAOM-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 = 117736   
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))		BDBM117736
PNG
(US8653087, III-416)
Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(C)(C)C)c3n2)CC1
Show InChI InChI=1S/C35H45N9O/c1-24-9-10-26(33(45)39-28-8-6-7-27(20-28)35(2,3)4)19-29(24)40-32-31-30(37-23-38-32)21-36-34(41-31)44-17-15-43(16-18-44)22-25-11-13-42(5)14-12-25/h6-10,19-21,23,25H,11-18,22H2,1-5H3,(H,39,45)(H,37,38,40)
PDB

UniProtKB/SwissProt

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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