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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 1085   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM308058
PNG
(US9650366, 9)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
MMDB

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5n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM308059
PNG
(US9650366, 10)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
MMDB

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7n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM308061
PNG
(US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
PDB
MMDB

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8n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM308058
PNG
(US9650366, 9)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
MMDB

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21n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308051
PNG
(US9650366, 3)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
MMDB

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39n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308056
PNG
(US9650366, 6)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
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66n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308055
PNG
(US9650366, 5)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
MMDB

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76n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308057
PNG
(US9650366, 8)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCO)n1
PDB
MMDB

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82n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308054
PNG
(US9650366, 4)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(F)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
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99n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308050
PNG
(US9650366, 2)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nn[nH]n1
PDB
MMDB

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140n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308060
PNG
(US9650366, 11)
Show SMILES Nc1ncc(cc1C#Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)-c1nnn(CCCO)n1
PDB
MMDB

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158n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308063
PNG
(US9650366, 14)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1cnccn1
PDB
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301n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308062
PNG
(US9650366, 13)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1ncccn1
PDB
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558n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308049
PNG
(US9650366, 1)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3sc(cc3c2)-c2cncc(c2)-c2nn[nH]n2)ccc1Cl
PDB
MMDB

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727n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308061
PNG
(US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
PDB
MMDB

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1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308058
PNG
(US9650366, 9)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
MMDB

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UniProtKB/SwissProt

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1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair