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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 = 'BDBM445213'   
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))
BDBM445213
PNG
(US10669235, Example 4 | US11208381, Example 4)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCN(C)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C32H35N5O4/c1-21-19-26-27(20-25(21)32(40)41-3)35-31(39)28(26)29(22-7-5-4-6-8-22)34-24-11-9-23(10-12-24)30(38)33-13-14-37-17-15-36(2)16-18-37/h4-12,19-20,34H,13-18H2,1-3H3,(H,33,38)(H,35,39)/b29-28-
PDB
MMDB

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PC cid
PC sid
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US Patent
8.07n/an/an/an/an/an/an/an/a


TBA

Assay Description
Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 1 mM DTT and 2 mM MnCl2. The inhibitory activities of compoun...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP784N
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM445213
PNG
(US10669235, Example 4 | US11208381, Example 4)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCN(C)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C32H35N5O4/c1-21-19-26-27(20-25(21)32(40)41-3)35-31(39)28(26)29(22-7-5-4-6-8-22)34-24-11-9-23(10-12-24)30(38)33-13-14-37-17-15-36(2)16-18-37/h4-12,19-20,34H,13-18H2,1-3H3,(H,33,38)(H,35,39)/b29-28-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.07n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against FGFR3 (FGFR3 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR3 prote...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair