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BDBM130068 US8815901, 20

SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ncc(CN3CCN(C)CC3)[nH]2)c2nccnc12

InChI Key: InChIKey=OIOCAEZDOFSWBM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 130068   
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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM130068
PNG
(US8815901, 20)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ncc(CN3CCN(C)CC3)[nH]2)c2nccnc12 |(10.91,-2.76,;9.37,-2.76,;8.6,-1.43,;9.37,-.1,;8.6,1.24,;9.37,2.57,;8.6,3.91,;7.06,1.24,;6.29,2.57,;6.29,-.1,;7.06,-1.43,;6.29,-2.76,;4.75,-.1,;3.98,1.24,;2.44,1.24,;1.67,-.1,;.13,-.1,;-.64,1.24,;-.64,-1.43,;-2.18,-1.43,;-3.09,-.18,;-4.55,-.66,;-4.55,-2.2,;-5.8,-3.1,;-7.13,-2.33,;-7.13,-.79,;-8.46,-.02,;-9.8,-.79,;-11.13,-.02,;-9.8,-2.33,;-8.46,-3.1,;-3.09,-2.67,;2.44,-1.43,;1.67,-2.76,;2.44,-4.1,;3.98,-4.1,;4.75,-2.76,;3.98,-1.43,)|
Show InChI InChI=1S/C26H27Cl2N7O3/c1-34-8-10-35(11-9-34)14-15-13-31-26(32-15)33-25(36)17-5-4-16(23-24(17)30-7-6-29-23)20-21(27)18(37-2)12-19(38-3)22(20)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,31,32,33,36)
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Similars

US Patent
n/an/a 16n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
The assay has been run at room temperature on a liquid handling robot. To the assay plates containing 50 mL compound or control solutions, 4.5 uL of ...


US Patent US8815901 (2014)


BindingDB Entry DOI: 10.7270/Q2XG9PT8
More data for this
Ligand-Target Pair