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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 2' and Ligand = 'BDBM50525939'   
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 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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n/an/a<0.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01413
BindingDB Entry DOI: 10.7270/Q25D8WX6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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n/an/a 2.5n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human FGFR2 incubated for 30 mins by time-resolved fluorescence kinase assay


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
BindingDB Entry DOI: 10.7270/Q2RX9GHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113499
BindingDB Entry DOI: 10.7270/Q2HH6PWN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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n/an/a 2.5n/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
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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PC cid
PC sid
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n/an/a 5.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
PDB
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KEGG

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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a<10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01977
BindingDB Entry DOI: 10.7270/Q2R49VVS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)