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Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'jeon' and Initial = 'e'   
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
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50501173
PNG
(CHEMBL3968123)
Show SMILES Oc1ccc(CCCCC(=O)NNCc2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C18H22N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-10,19,21-22,24-25H,1-4,11H2,(H,20,23)
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324n/an/an/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated with protein followed by ad...


Eur J Med Chem 120: 202-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.085
BindingDB Entry DOI: 10.7270/Q25B05HD
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50501161
PNG
(CHEMBL3911377)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CNCC1=O)\C=C\C(C)=O |r|
Show InChI InChI=1S/C32H47N5O7/c1-20(2)14-25(28(40)35-24(13-12-21(3)38)15-23-16-33-18-27(23)39)36-29(41)26(17-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-13,20,23-26,33H,14-19H2,1-6H3,(H,34,42)(H,35,40)(H,36,41)(H,37,43)/b13-12+/t23-,24-,25+,26+/m1/s1
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800n/an/an/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 C-terminal 6His-tagged 3C protease expressed in Escherichia coli BL21 preincubated for 20 mins followed b...


Eur J Med Chem 120: 202-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.085
BindingDB Entry DOI: 10.7270/Q25B05HD
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a<0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00459
BindingDB Entry DOI: 10.7270/Q2TT4VSH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596852
PNG
(CHEMBL5193739)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(C)c3)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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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 1


(Homo sapiens (Human))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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Citation and Details

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


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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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))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
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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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))
BDBM301310
PNG
(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(mo...)
Show SMILES CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F
Show InChI InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
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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))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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Citation and Details

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


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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Citation and Details

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


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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Citation and Details

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


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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Citation and Details

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


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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Citation and Details

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


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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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))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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Citation and Details

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


(Homo sapiens (Human))
BDBM301310
PNG
(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(mo...)
Show SMILES CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F
Show InChI InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
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Citation and Details

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


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596850
PNG
(CHEMBL5200941)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(CCCN(C)C)c3)n2)c1Cl
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Citation and Details

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


(Homo sapiens (Human))
BDBM50596851
PNG
(CHEMBL5204120)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(CC=C)c3)n2)c1Cl
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(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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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 3


(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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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596829
PNG
(CHEMBL5194218)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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n/an/a 1.80n/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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50577169
PNG
(CHEMBL4846921)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1
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TBA

Assay Description
Inhibition of JAK1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00459
BindingDB Entry DOI: 10.7270/Q2TT4VSH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM301310
PNG
(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(mo...)
Show SMILES CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F
Show InChI InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
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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 3


(Homo sapiens (Human))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596852
PNG
(CHEMBL5193739)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(C)c3)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596849
PNG
(CHEMBL5174975)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCOCC3)n2)c1Cl
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TBA



Citation and Details

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


(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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Citation and Details

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


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50596837
PNG
(CHEMBL5203040)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccccc3)n2)c1Cl
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50577169
PNG
(CHEMBL4846921)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1
PDB
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TBA

Assay Description
Inhibition of RET (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00459
BindingDB Entry DOI: 10.7270/Q2TT4VSH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596829
PNG
(CHEMBL5194218)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
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