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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 11772   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM645765
PNG
(US20240018153, Compound I-27)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645766
PNG
(US20240018153, Compound I-39)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<10n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM645764
PNG
(US20240018153, Compound I-1)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)cc23)cc1Cl |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<10n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM645766
PNG
(US20240018153, Compound I-39)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645782
PNG
(US20240018153, Compound I-26)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645797
PNG
(US20240018153, Compound I-30)
Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
n/an/a<10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645781
PNG
(US20240018153, Compound I-53)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)c3)n2)cc1
PDB

KEGG

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n/an/a<10n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645796
PNG
(US20240018153, Compound I-59)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4S(=O)(=O)N(C)C)c3)n2)cc1
PDB

KEGG

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n/an/a<10n/an/an/an/an/an/a


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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM645768
PNG
(US20240018153, Compound I-37)
Show SMILES C[S@](=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB
MMDB

KEGG

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM645769
PNG
(US20240018153, Compound I-2)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
PDB
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n/an/a<10n/an/an/an/an/an/a


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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM645770
PNG
(US20240018153, Compound I-3)
Show SMILES CS(=O)c1c(F)c(F)c(F)c(F)c1C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1
PDB
MMDB

KEGG

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n/an/a<10n/an/an/an/an/an/a


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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM645771
PNG
(US20240018153, Compound I-4)
Show SMILES CS(=O)c1c(F)c(F)c(F)c(F)c1Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
PDB
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n/an/a<10n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM645772
PNG
(US20240018153, Compound I-5)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
PDB
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KEGG

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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645767
PNG
(US20240018153, Compound I-38)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
PDB
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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645773
PNG
(US20240018153, Compound I-33)
Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)c1c(F)c(F)c(F)c(F)c1S(N)(=O)=O
PDB
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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645774
PNG
(US20240018153, Compound I-32)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(C1)C(=O)c1c(F)c(F)c(F)c(F)c1S(N)(=O)=O
PDB
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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645775
PNG
(US20240018153, Compound I-42)
Show SMILES Nc1ncnc2n(CCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12
PDB
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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645776
PNG
(US20240018153, Compound I-36)
Show SMILES CS(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB
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n/an/a<10n/an/an/an/an/an/a


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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645768
PNG
(US20240018153, Compound I-37)
Show SMILES C[S@](=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB
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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645777
PNG
(US20240018153, Compound I-34)
Show SMILES Nc1ncnc2n(CCCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12
PDB
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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645778
PNG
(US20240018153, Compound I-40)
Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
PDB
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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645779
PNG
(US20240018153, Compound I-62)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4[S@](C)=O)c3)n2)cc1 |r|
PDB
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645780
PNG
(US20240018153, Compound I-50)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1CNCCNc1ncnc2[nH]ccc12
PDB
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM645781
PNG
(US20240018153, Compound I-53)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)c3)n2)cc1
PDB
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n/an/a<10n/an/an/an/an/an/a


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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645782
PNG
(US20240018153, Compound I-26)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)F |r|
PDB
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n/an/a<10n/an/an/an/an/an/a


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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645783
PNG
(US20240018153, Compound I-56)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3CF)n2)cc1
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645784
PNG
(US20240018153, Compound I-25)
Show SMILES Nc1ncnc2n(CCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3OCF)nc(-c3ccc(Oc4ccccc4)cc3)c12
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645785
PNG
(US20240018153, Compound I-41)
Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645786
PNG
(US20240018153, Compound I-65)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(OCc4c(F)c(F)c(F)c(F)c4S(C)(=O)=O)cc3)n2)cc1
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645787
PNG
(US20240018153, Compound I-47)
Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645788
PNG
(US20240018153, Compound I-48)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645780
PNG
(US20240018153, Compound I-50)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1CNCCNc1ncnc2[nH]ccc12
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645775
PNG
(US20240018153, Compound I-42)
Show SMILES Nc1ncnc2n(CCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12
PDB
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n/an/a<10n/an/an/an/an/an/a


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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645789
PNG
(US20240018153, Compound I-28)
Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)c1c(F)c(F)c(F)c(F)c1S(C)(=O)=O
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645777
PNG
(US20240018153, Compound I-34)
Show SMILES Nc1ncnc2n(CCCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12
PDB
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645767
PNG
(US20240018153, Compound I-38)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
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Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM645768
PNG
(US20240018153, Compound I-37)
Show SMILES C[S@](=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM645781
PNG
(US20240018153, Compound I-53)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)c3)n2)cc1
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM645787
PNG
(US20240018153, Compound I-47)
Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM645790
PNG
(US20240018153, Compound I-52)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3C(F)F)n2)cc1
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM645791
PNG
(US20240018153, Compound I-55)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3OC(F)F)n2)cc1
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM645792
PNG
(US20240018153, Compound I-61)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4S(C)(=O)=O)c3)n2)cc1
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM645774
PNG
(US20240018153, Compound I-32)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(C1)C(=O)c1c(F)c(F)c(F)c(F)c1S(N)(=O)=O
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM645765
PNG
(US20240018153, Compound I-27)
Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
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Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645792
PNG
(US20240018153, Compound I-61)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4S(C)(=O)=O)c3)n2)cc1
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Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645793
PNG
(US20240018153, Compound I-54)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4OC(F)F)c3)n2)cc1
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Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645794
PNG
(US20240018153, Compound I-57)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3OCF)n2)cc1
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Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645789
PNG
(US20240018153, Compound I-28)
Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)c1c(F)c(F)c(F)c(F)c1S(C)(=O)=O
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Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645795
PNG
(US20240018153, Compound I-58)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4CF)c3)n2)cc1
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Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM645779
PNG
(US20240018153, Compound I-62)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4[S@](C)=O)c3)n2)cc1 |r|
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Ligand-Target Pair
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