BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)[nH]n1

InChI Key: InChIKey=UJJJJGXSPRQIHI-UHFFFAOYSA-N

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 = 117711   
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))		BDBM117711
PNG
(US8653087, III-391)
Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)[nH]n1
Show InChI InChI=1S/C24H26FN9O2/c1-24(2,3)18-11-19(33-32-18)30-22(35)14-4-5-15(25)16(10-14)29-21-20-17(27-13-28-21)12-26-23(31-20)34-6-8-36-9-7-34/h4-5,10-13H,6-9H2,1-3H3,(H,27,28,29)(H2,30,32,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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