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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 = 'BDBM102522'   
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))
BDBM102522
PNG
(US8536175, 83)
Show SMILES CCN1CCN(Cc2cnc3c(ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)C(=O)Nc2cccnc2)CC1 |(8.47,-5.33,;7.7,-4,;6.16,-4,;5.39,-5.33,;3.85,-5.33,;3.08,-4,;1.54,-4,;.77,-2.67,;-.77,-2.67,;-1.54,-1.33,;-.77,,;-1.54,1.33,;-.77,2.67,;.77,2.67,;1.54,1.33,;3.08,1.33,;3.85,,;3.08,-1.33,;5.39,,;6.16,-1.33,;7.7,-1.33,;6.16,1.33,;5.39,2.67,;6.16,4,;5.39,5.33,;3.85,2.67,;3.08,4,;.77,,;1.54,-1.33,;-3.08,1.33,;-3.85,2.67,;-3.85,,;-5.39,,;-6.16,1.33,;-7.7,1.33,;-8.47,,;-7.7,-1.33,;-6.16,-1.33,;3.85,-2.67,;5.39,-2.67,)|
Show InChI InChI=1S/C29H30Cl2N6O3/c1-4-36-10-12-37(13-11-36)17-19-16-33-27-21(29(38)35-18-6-5-9-32-15-18)8-7-20(28(27)34-19)24-25(30)22(39-2)14-23(40-3)26(24)31/h5-9,14-16H,4,10-13,17H2,1-3H3,(H,35,38)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 945n/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))
BDBM102522
PNG
(US8536175, 83)
Show SMILES CCN1CCN(Cc2cnc3c(ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)C(=O)Nc2cccnc2)CC1 |(8.47,-5.33,;7.7,-4,;6.16,-4,;5.39,-5.33,;3.85,-5.33,;3.08,-4,;1.54,-4,;.77,-2.67,;-.77,-2.67,;-1.54,-1.33,;-.77,,;-1.54,1.33,;-.77,2.67,;.77,2.67,;1.54,1.33,;3.08,1.33,;3.85,,;3.08,-1.33,;5.39,,;6.16,-1.33,;7.7,-1.33,;6.16,1.33,;5.39,2.67,;6.16,4,;5.39,5.33,;3.85,2.67,;3.08,4,;.77,,;1.54,-1.33,;-3.08,1.33,;-3.85,2.67,;-3.85,,;-5.39,,;-6.16,1.33,;-7.7,1.33,;-8.47,,;-7.7,-1.33,;-6.16,-1.33,;3.85,-2.67,;5.39,-2.67,)|
Show InChI InChI=1S/C29H30Cl2N6O3/c1-4-36-10-12-37(13-11-36)17-19-16-33-27-21(29(38)35-18-6-5-9-32-15-18)8-7-20(28(27)34-19)24-25(30)22(39-2)14-23(40-3)26(24)31/h5-9,14-16H,4,10-13,17H2,1-3H3,(H,35,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 945n/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