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BDBM117733 US8653087, III-413

SMILES: COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(nc23)N2CCN(CC3CCN(C)CC3)CC2)c1)C(F)(F)F

InChI Key: InChIKey=ZKEAQCPXPQRYLL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117733   
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
B-RAF V600E


(Homo sapiens (Human))		BDBM117733
PNG
(US8653087, III-413)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(nc23)N2CCN(CC3CCN(C)CC3)CC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H38F3N9O2/c1-21-4-5-23(31(46)41-26-17-24(33(34,35)36)6-7-28(26)47-3)16-25(21)40-30-29-27(38-20-39-30)18-37-32(42-29)45-14-12-44(13-15-45)19-22-8-10-43(2)11-9-22/h4-7,16-18,20,22H,8-15,19H2,1-3H3,(H,41,46)(H,38,39,40)
PDB

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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