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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 = 'BDBM342472'   
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))
BDBM342472
PNG
(US9776988, Example 4)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C27H32N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)(H,29,30)(H,31,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a 29.8n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)


BindingDB Entry DOI: 10.7270/Q27946S6
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM342472
PNG
(US9776988, Example 4)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C27H32N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)(H,29,30)(H,31,32)
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112990
BindingDB Entry DOI: 10.7270/Q2WD44HQ
More data for this
Ligand-Target Pair