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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 3' and Ligand = 'BDBM102540'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM102540
PNG
(US8536175, 144)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2nccnc12 |(8.07,3.99,;8.84,2.66,;8.07,1.32,;8.84,-.01,;8.07,-1.34,;8.84,-2.68,;10.38,-2.68,;6.53,-1.34,;5.76,-2.68,;5.76,-.01,;6.53,1.32,;5.76,2.66,;4.22,-.01,;3.45,1.32,;1.91,1.32,;1.14,-.01,;-.4,-.01,;-1.17,1.32,;-1.17,-1.34,;-2.71,-1.34,;-3.48,-.01,;-5.02,-.01,;-5.79,-1.34,;-7.33,-1.34,;-8.1,-.01,;-9.64,-.01,;-10.41,1.32,;-9.64,2.66,;-10.41,3.99,;-8.1,2.66,;-7.33,1.32,;-5.02,-2.68,;-3.48,-2.68,;1.91,-1.34,;1.14,-2.68,;1.91,-4.01,;3.45,-4.01,;4.22,-2.68,;3.45,-1.34,)|
Show InChI InChI=1S/C28H28ClFN6O3/c1-35-10-12-36(13-11-35)16-17-4-7-22(33-15-17)34-28(37)19-6-5-18(26-27(19)32-9-8-31-26)23-24(29)20(38-2)14-21(39-3)25(23)30/h4-9,14-15H,10-13,16H2,1-3H3,(H,33,34,37)
PDB
MMDB

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PC sid
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Similars

US Patent
n/an/a 7n/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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM102540
PNG
(US8536175, 144)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2nccnc12 |(8.07,3.99,;8.84,2.66,;8.07,1.32,;8.84,-.01,;8.07,-1.34,;8.84,-2.68,;10.38,-2.68,;6.53,-1.34,;5.76,-2.68,;5.76,-.01,;6.53,1.32,;5.76,2.66,;4.22,-.01,;3.45,1.32,;1.91,1.32,;1.14,-.01,;-.4,-.01,;-1.17,1.32,;-1.17,-1.34,;-2.71,-1.34,;-3.48,-.01,;-5.02,-.01,;-5.79,-1.34,;-7.33,-1.34,;-8.1,-.01,;-9.64,-.01,;-10.41,1.32,;-9.64,2.66,;-10.41,3.99,;-8.1,2.66,;-7.33,1.32,;-5.02,-2.68,;-3.48,-2.68,;1.91,-1.34,;1.14,-2.68,;1.91,-4.01,;3.45,-4.01,;4.22,-2.68,;3.45,-1.34,)|
Show InChI InChI=1S/C28H28ClFN6O3/c1-35-10-12-36(13-11-35)16-17-4-7-22(33-15-17)34-28(37)19-6-5-18(26-27(19)32-9-8-31-26)23-24(29)20(38-2)14-21(39-3)25(23)30/h4-9,14-15H,10-13,16H2,1-3H3,(H,33,34,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Protein kinase activity measured by the microfluidic caliper method.


US Patent US8536175 (2013)


BindingDB Entry DOI: 10.7270/Q27D2SSH
More data for this
Ligand-Target Pair