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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 = 'BDBM102501'   
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))
BDBM102501
PNG
(US8536175, 2)
Show SMILES CCN1CCN(CC1)c1cccc(NC(=O)c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)c3nccnc23)c1 |(-10.01,4.67,;-8.47,4.67,;-7.7,3.33,;-6.16,3.33,;-5.39,2,;-6.16,.67,;-7.7,.67,;-8.47,2,;-5.39,-.67,;-6.16,-2,;-5.39,-3.33,;-3.85,-3.33,;-3.08,-2,;-1.54,-2,;-.77,-.67,;-1.54,.67,;.77,-.67,;1.54,.67,;3.08,.67,;3.85,-.67,;5.39,-.67,;6.16,-2,;5.39,-3.33,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;8.47,-.67,;7.7,.67,;8.47,2,;7.7,3.33,;6.16,.67,;5.39,2,;3.08,-2,;3.85,-3.33,;3.08,-4.67,;1.54,-4.67,;.77,-3.33,;1.54,-2,;-3.85,-.67,)|
Show InChI InChI=1S/C29H29Cl2N5O3/c1-4-35-12-14-36(15-13-35)19-7-5-6-18(16-19)34-29(37)21-9-8-20(27-28(21)33-11-10-32-27)24-25(30)22(38-2)17-23(39-3)26(24)31/h5-11,16-17H,4,12-15H2,1-3H3,(H,34,37)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

US Patent
n/an/a 530n/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))
BDBM102501
PNG
(US8536175, 2)
Show SMILES CCN1CCN(CC1)c1cccc(NC(=O)c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)c3nccnc23)c1 |(-10.01,4.67,;-8.47,4.67,;-7.7,3.33,;-6.16,3.33,;-5.39,2,;-6.16,.67,;-7.7,.67,;-8.47,2,;-5.39,-.67,;-6.16,-2,;-5.39,-3.33,;-3.85,-3.33,;-3.08,-2,;-1.54,-2,;-.77,-.67,;-1.54,.67,;.77,-.67,;1.54,.67,;3.08,.67,;3.85,-.67,;5.39,-.67,;6.16,-2,;5.39,-3.33,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;8.47,-.67,;7.7,.67,;8.47,2,;7.7,3.33,;6.16,.67,;5.39,2,;3.08,-2,;3.85,-3.33,;3.08,-4.67,;1.54,-4.67,;.77,-3.33,;1.54,-2,;-3.85,-.67,)|
Show InChI InChI=1S/C29H29Cl2N5O3/c1-4-35-12-14-36(15-13-35)19-7-5-6-18(16-19)34-29(37)21-9-8-20(27-28(21)33-11-10-32-27)24-25(30)22(38-2)17-23(39-3)26(24)31/h5-11,16-17H,4,12-15H2,1-3H3,(H,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 530n/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