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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 = 'BDBM102512'   
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))
BDBM102512
PNG
(US8536175, 31)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2nccnc12 |(10.38,-2.67,;8.84,-2.67,;8.07,-1.33,;8.84,,;8.07,1.33,;8.84,2.67,;8.07,4,;6.53,1.33,;5.76,2.67,;5.76,,;6.53,-1.33,;5.76,-2.67,;4.22,,;3.45,1.33,;1.91,1.33,;1.14,,;-.4,,;-1.17,1.33,;-1.17,-1.33,;-2.71,-1.33,;-3.48,,;-5.02,,;-5.79,-1.33,;-7.33,-1.33,;-8.1,,;-7.33,1.33,;-8.08,2.65,;-9.61,2.65,;-10.38,3.98,;-10.36,1.33,;-9.64,,;-5.02,-2.67,;-3.48,-2.67,;1.91,-1.33,;1.14,-2.67,;1.91,-4,;3.45,-4,;4.22,-2.67,;3.45,-1.33,)|
Show InChI InChI=1S/C28H28Cl2N6O3/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 cid
PC sid
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Similars

US Patent
n/an/a 22n/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))
BDBM102512
PNG
(US8536175, 31)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2nccnc12 |(10.38,-2.67,;8.84,-2.67,;8.07,-1.33,;8.84,,;8.07,1.33,;8.84,2.67,;8.07,4,;6.53,1.33,;5.76,2.67,;5.76,,;6.53,-1.33,;5.76,-2.67,;4.22,,;3.45,1.33,;1.91,1.33,;1.14,,;-.4,,;-1.17,1.33,;-1.17,-1.33,;-2.71,-1.33,;-3.48,,;-5.02,,;-5.79,-1.33,;-7.33,-1.33,;-8.1,,;-7.33,1.33,;-8.08,2.65,;-9.61,2.65,;-10.38,3.98,;-10.36,1.33,;-9.64,,;-5.02,-2.67,;-3.48,-2.67,;1.91,-1.33,;1.14,-2.67,;1.91,-4,;3.45,-4,;4.22,-2.67,;3.45,-1.33,)|
Show InChI InChI=1S/C28H28Cl2N6O3/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 22n/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