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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 1' and Ligand = 'BDBM445242'   
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 1


(Homo sapiens (Human))
BDBM445242
PNG
(US10669235, Example 33 | US11208381, Example 33)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CC[C@@H](CN(C)C)[C@H](O)C3)c3ccccc3)c2cc1C |r|
Show InChI InChI=1S/C33H36N4O5/c1-20-16-26-27(17-25(20)33(41)42-4)35-31(39)29(26)30(21-8-6-5-7-9-21)34-24-12-10-22(11-13-24)32(40)37-15-14-23(18-36(2)3)28(38)19-37/h5-13,16-17,23,28,34,38H,14-15,18-19H2,1-4H3,(H,35,39)/b30-29-/t23-,28+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14.3n/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 and 1 mM DTT. The inhibitory activities of compounds of the in...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP784N
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM445242
PNG
(US10669235, Example 33 | US11208381, Example 33)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CC[C@@H](CN(C)C)[C@H](O)C3)c3ccccc3)c2cc1C |r|
Show InChI InChI=1S/C33H36N4O5/c1-20-16-26-27(17-25(20)33(41)42-4)35-31(39)29(26)30(21-8-6-5-7-9-21)34-24-12-10-22(11-13-24)32(40)37-15-14-23(18-36(2)3)28(38)19-37/h5-13,16-17,23,28,34,38H,14-15,18-19H2,1-4H3,(H,35,39)/b30-29-/t23-,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14.3n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against FGFR1 (FGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR1 prote...


US Patent US10669235 (2020)


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