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BDBM50525939 Balversa::ERDAFITINIB::Erdafitinib::JNJ-42756493::Jnj-42756493

SMILES: COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1

InChI Key: InChIKey=OLAHOMJCDNXHFI-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50525939   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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 1.20n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 amino acids) incubated for 60 mins by time-resolved fluorescence kinase assay


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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 5.70n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human FGFR4 incubated for 45 mins by time-resolved fluorescence kinase assay


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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 3.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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
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n/an/a 3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human FGFR3 (447 to 761 residues) incubated for 60 mins by time-resolved fluorescence kinase assay


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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 3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6 tagged FGFR3 (447 to 761 residues) expressed in Sf21 cells using FLT3 peptide as substrate preincubat...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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 37n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged VEGFR2 (790 to end residues) expressed in baculovirus infected Sf21 cells using FLT3 peptide as substrate ...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | ERDAFITINIB | Erdafitinib | JNJ-4275649...)
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 37n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair