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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 = 'BDBM102532'   
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))
BDBM102532
PNG
(US8536175, 112)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCNC(C)(C)C3)nc2)c2nccnc12 |(8.7,-13.78,;7.36,-14.55,;7.36,-16.09,;8.7,-16.86,;8.7,-18.4,;10.03,-19.17,;11.36,-18.4,;7.36,-19.17,;7.36,-20.71,;6.03,-18.4,;6.03,-16.86,;4.69,-16.09,;4.69,-19.17,;3.36,-18.4,;2.03,-19.17,;2.03,-20.71,;.69,-21.48,;.69,-23.02,;-.64,-20.71,;-1.97,-21.48,;-3.31,-20.71,;-4.64,-21.48,;-4.64,-23.02,;-5.98,-23.79,;-7.31,-23.02,;-7.31,-21.48,;-8.64,-20.71,;-9.98,-21.48,;-9.98,-23.02,;-11.31,-23.79,;-10.38,-24.51,;-8.64,-23.79,;-3.31,-23.79,;-1.97,-23.02,;3.36,-21.48,;3.36,-23.02,;4.69,-23.79,;6.03,-23.02,;6.03,-21.48,;4.69,-20.71,)|
Show InChI InChI=1S/C29H30Cl2N6O3/c1-29(2)16-37(12-11-35-29)15-18-6-5-17(14-34-18)36-28(38)20-8-7-19(26-27(20)33-10-9-32-26)23-24(30)21(39-3)13-22(40-4)25(23)31/h5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,36,38)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 139n/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))
BDBM102532
PNG
(US8536175, 112)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCNC(C)(C)C3)nc2)c2nccnc12 |(8.7,-13.78,;7.36,-14.55,;7.36,-16.09,;8.7,-16.86,;8.7,-18.4,;10.03,-19.17,;11.36,-18.4,;7.36,-19.17,;7.36,-20.71,;6.03,-18.4,;6.03,-16.86,;4.69,-16.09,;4.69,-19.17,;3.36,-18.4,;2.03,-19.17,;2.03,-20.71,;.69,-21.48,;.69,-23.02,;-.64,-20.71,;-1.97,-21.48,;-3.31,-20.71,;-4.64,-21.48,;-4.64,-23.02,;-5.98,-23.79,;-7.31,-23.02,;-7.31,-21.48,;-8.64,-20.71,;-9.98,-21.48,;-9.98,-23.02,;-11.31,-23.79,;-10.38,-24.51,;-8.64,-23.79,;-3.31,-23.79,;-1.97,-23.02,;3.36,-21.48,;3.36,-23.02,;4.69,-23.79,;6.03,-23.02,;6.03,-21.48,;4.69,-20.71,)|
Show InChI InChI=1S/C29H30Cl2N6O3/c1-29(2)16-37(12-11-35-29)15-18-6-5-17(14-34-18)36-28(38)20-8-7-19(26-27(20)33-10-9-32-26)23-24(30)21(39-3)13-22(40-4)25(23)31/h5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,36,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 139n/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