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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50011238   
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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368552
PNG
(N-(1H-pyrazolo[4,3-b] pyridin- 3-yl)isoquinolin-6-...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1
Show InChI InChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20)
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368526
PNG
(1-(difluoromethyl)-N- (1H-pyrazolo [4,3-b]pyridin-...)
Show SMILES FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM368552
PNG
(N-(1H-pyrazolo[4,3-b] pyridin- 3-yl)isoquinolin-6-...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1
Show InChI InChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20)
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n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368549
PNG
(1-ethyl-N-(1H-pyrazolo [4,3-b]pyridin- 3-yl)isoqui...)
Show SMILES CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C17H15N5/c1-2-14-13-6-5-12(10-11(13)7-9-18-14)20-17-16-15(21-22-17)4-3-8-19-16/h3-10H,2H2,1H3,(H2,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368548
PNG
(1-cyclopropyl-N-(1H- pyrazolo[4,3-b]pyridin-3- yl)...)
Show SMILES C1CC1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C18H15N5/c1-2-15-17(19-8-1)18(23-22-15)21-13-5-6-14-12(10-13)7-9-20-16(14)11-3-4-11/h1-2,5-11H,3-4H2,(H2,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM368552
PNG
(N-(1H-pyrazolo[4,3-b] pyridin- 3-yl)isoquinolin-6-...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1
Show InChI InChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20)
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n/an/a 1.35E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368542
PNG
(1-(1H-pyrazol-1-yl)-N- (1H- pyrazolo[4,3-b]pyridin...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1
Show InChI InChI=1S/C18H13N7/c1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25/h1-11H,(H2,22,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50078637
PNG
(CHEMBL4784617)
Show SMILES O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C15H13N5/c1-19-10-17-14(13-8-18-20(2)9-13)15(19)12-5-3-11(7-16)4-6-12/h3-6,8-10H,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM368552
PNG
(N-(1H-pyrazolo[4,3-b] pyridin- 3-yl)isoquinolin-6-...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1
Show InChI InChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20)
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n/an/a 3.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM368542
PNG
(1-(1H-pyrazol-1-yl)-N- (1H- pyrazolo[4,3-b]pyridin...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1
Show InChI InChI=1S/C18H13N7/c1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25/h1-11H,(H2,22,23,24)
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n/an/a 7.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM368542
PNG
(1-(1H-pyrazol-1-yl)-N- (1H- pyrazolo[4,3-b]pyridin...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1
Show InChI InChI=1S/C18H13N7/c1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25/h1-11H,(H2,22,23,24)
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n/an/a 7.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM368514
PNG
(N-(1H-pyrazolo[3,4-b] pyridin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM368542
PNG
(1-(1H-pyrazol-1-yl)-N- (1H- pyrazolo[4,3-b]pyridin...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1
Show InChI InChI=1S/C18H13N7/c1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25/h1-11H,(H2,22,23,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50078637
PNG
(CHEMBL4784617)
Show SMILES O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C15H13N5/c1-19-10-17-14(13-8-18-20(2)9-13)15(19)12-5-3-11(7-16)4-6-12/h3-6,8-10H,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM368526
PNG
(1-(difluoromethyl)-N- (1H-pyrazolo [4,3-b]pyridin-...)
Show SMILES FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50078637
PNG
(CHEMBL4784617)
Show SMILES O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C15H13N5/c1-19-10-17-14(13-8-18-20(2)9-13)15(19)12-5-3-11(7-16)4-6-12/h3-6,8-10H,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM368526
PNG
(1-(difluoromethyl)-N- (1H-pyrazolo [4,3-b]pyridin-...)
Show SMILES FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM368526
PNG
(1-(difluoromethyl)-N- (1H-pyrazolo [4,3-b]pyridin-...)
Show SMILES FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
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n/an/a 3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368515
PNG
(N-(1H-pyrazolo[3,4- b]pyrazin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12
Show InChI InChI=1S/C15H9F3N6/c16-15(17,18)12-10-2-1-9(7-8(10)3-4-20-12)22-14-11-13(23-24-14)21-6-5-19-11/h1-7H,(H2,21,22,23,24)
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n/an/a<5.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368520
PNG
(N-(1H-pyrazolo[4,3-b] pyridin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)14-11-4-3-10(8-9(11)5-7-21-14)22-15-13-12(23-24-15)2-1-6-20-13/h1-8H,(H2,22,23,24)
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n/an/a<5.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50078640
PNG
(CHEMBL4755785)
Show SMILES O=c1n(CC2CCC2)ccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C19H17N7O/c1-13-9-17(27-23-13)18-19(16-5-3-15(10-20)4-6-16)25(12-21-18)7-8-26-11-14(2)22-24-26/h3-6,9,11-12H,7-8H2,1-2H3
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Article
PubMed
n/an/an/an/a 653n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50078641
PNG
(CHEMBL4750744)
Show SMILES O=c1n(ccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCCC1
Show InChI InChI=1S/C18H15N7S/c1-13-10-25(23-22-13)7-6-24-11-21-17(16-9-20-12-26-16)18(24)15-4-2-14(8-19)3-5-15/h2-5,9-12H,6-7H2,1H3
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n/an/an/an/a 1.73E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368520
PNG
(N-(1H-pyrazolo[4,3-b] pyridin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)14-11-4-3-10(8-9(11)5-7-21-14)22-15-13-12(23-24-15)2-1-6-20-13/h1-8H,(H2,22,23,24)
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n/an/an/an/a 18n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368515
PNG
(N-(1H-pyrazolo[3,4- b]pyrazin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12
Show InChI InChI=1S/C15H9F3N6/c16-15(17,18)12-10-2-1-9(7-8(10)3-4-20-12)22-14-11-13(23-24-14)21-6-5-19-11/h1-7H,(H2,21,22,23,24)
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n/an/an/an/a 51n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368514
PNG
(N-(1H-pyrazolo[3,4-b] pyridin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)
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n/an/an/an/a 65n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368553
PNG
(N-(naphthalen-2-yl)-1H- pyrazolo[4,3-b]pyridin-3- ...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H12N4/c1-2-5-12-10-13(8-7-11(12)4-1)18-16-15-14(19-20-16)6-3-9-17-15/h1-10H,(H2,18,19,20)
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n/an/an/an/a 403n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368552
PNG
(N-(1H-pyrazolo[4,3-b] pyridin- 3-yl)isoquinolin-6-...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1
Show InChI InChI=1S/C15H11N5/c1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12/h1-9H,(H2,18,19,20)
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n/an/an/an/a 76n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50147621
PNG
(CHEMBL4788007)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2ncccc2c1
Show InChI InChI=1S/C22H25N3O6S2/c1-23-13-16(14-5-6-17(30-2)18(11-14)31-3)20-15(21(23)26)12-19(32-20)22(27)24-7-9-25(10-8-24)33(4,28)29/h5-6,11-13H,7-10H2,1-4H3
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n/an/an/an/a 732n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50148372
PNG
(CHEMBL4795205)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2nccnc2c1
Show InChI InChI=1S/C19H20N2O4S/c1-20(2)19(23)16-9-12-17(26-16)13(10-21(3)18(12)22)11-6-7-14(24-4)15(8-11)25-5/h6-10H,1-5H3
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50148374
PNG
(CHEMBL4760038)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2ccncc2c1
Show InChI InChI=1S/C22H24N2O4S/c1-23-13-16(14-7-8-17(27-2)18(11-14)28-3)20-15(21(23)25)12-19(29-20)22(26)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50148375
PNG
(CHEMBL4800673)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2cccnc2c1
Show InChI InChI=1S/C21H20N4O3S2/c1-25-12-17(14-4-2-3-13(9-14)11-22)19-16(21(25)26)10-18(29-19)20(23)24-15-5-7-30(27,28)8-6-15/h2-4,9-10,12,15H,5-8H2,1H3,(H2,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50148385
PNG
(CHEMBL4753444)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2ncncc2c1
Show InChI InChI=1S/C21H20F3N3O3S2/c1-27-11-16(12-3-2-4-13(9-12)21(22,23)24)18-15(20(27)28)10-17(31-18)19(25)26-14-5-7-32(29,30)8-6-14/h2-4,9-11,14H,5-8H2,1H3,(H2,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50148386
PNG
(CHEMBL4745063)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2cnccc2n1
Show InChI InChI=1S/C21H23N3O4S2/c1-24-12-17(13-4-3-5-15(10-13)28-2)19-16(21(24)25)11-18(29-19)20(22)23-14-6-8-30(26,27)9-7-14/h3-5,10-12,14H,6-9H2,1-2H3,(H2,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM368514
PNG
(N-(1H-pyrazolo[3,4-b] pyridin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)
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n/an/an/an/a 197n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM368514
PNG
(N-(1H-pyrazolo[3,4-b] pyridin-3-yl)-1- (trifluorom...)
Show SMILES FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)
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n/an/an/an/a 195n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50078639
PNG
(CHEMBL4762098)
Show SMILES CC(C)Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O
Show InChI InChI=1S/C15H14N6/c1-12-10-21(19-18-12)7-6-20-11-17-9-15(20)14-4-2-13(8-16)3-5-14/h2-5,9-11H,6-7H2,1H3
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n/an/an/an/a 685n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50078638
PNG
(CHEMBL4764520)
Show SMILES Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O
Show InChI InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50078637
PNG
(CHEMBL4784617)
Show SMILES O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C15H13N5/c1-19-10-17-14(13-8-18-20(2)9-13)15(19)12-5-3-11(7-16)4-6-12/h3-6,8-10H,1-2H3
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n/an/an/an/a 264n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368511
PNG
(1-(1-methyl-3- (trifluoromethyl)-1H- pyrazol-5-yl)...)
Show SMILES Cn1nc(cc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F
Show InChI InChI=1S/C20H14F3N7/c1-30-15(10-16(29-30)20(21,22)23)17-13-5-4-12(9-11(13)6-8-25-17)26-19-18-14(27-28-19)3-2-7-24-18/h2-10H,1H3,(H2,26,27,28)
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n/an/an/an/a 132n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368512
PNG
(1-(1-methyl-1H-pyrazol- 5-yl)-N-(1H-pyrazolo [4,3-...)
Show SMILES Cn1nccc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C19H15N7/c1-26-16(7-10-22-26)17-14-5-4-13(11-12(14)6-9-21-17)23-19-18-15(24-25-19)3-2-8-20-18/h2-11H,1H3,(H2,23,24,25)
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n/an/an/an/a 45n/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368518
PNG
(N-(1H-pyrazolo[4,3-b] pyridin-3-yl)-1-(1,1,1- trif...)
Show SMILES CC(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F
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n/an/an/an/a 36n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368526
PNG
(1-(difluoromethyl)-N- (1H-pyrazolo [4,3-b]pyridin-...)
Show SMILES FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
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n/an/an/an/a 8n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368548
PNG
(1-cyclopropyl-N-(1H- pyrazolo[4,3-b]pyridin-3- yl)...)
Show SMILES C1CC1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C18H15N5/c1-2-15-17(19-8-1)18(23-22-15)21-13-5-6-14-12(10-13)7-9-20-16(14)11-3-4-11/h1-2,5-11H,3-4H2,(H2,21,22,23)
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n/an/an/an/a 71n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368549
PNG
(1-ethyl-N-(1H-pyrazolo [4,3-b]pyridin- 3-yl)isoqui...)
Show SMILES CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C17H15N5/c1-2-14-13-6-5-12(10-11(13)7-9-18-14)20-17-16-15(21-22-17)4-3-8-19-16/h3-10H,2H2,1H3,(H2,20,21,22)
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TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368521
PNG
(1-(3,5-dimethyl-1H- pyrazol-1-yl)-N- (1H-pyrazolo[...)
Show SMILES Cc1cc(C)n(n1)-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C20H17N7/c1-12-10-13(2)27(26-12)20-16-6-5-15(11-14(16)7-9-22-20)23-19-18-17(24-25-19)4-3-8-21-18/h3-11H,1-2H3,(H2,23,24,25)
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n/an/an/an/a 726n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50078636
PNG
(CHEMBL4782314)
Show SMILES Cc1ccn(n1)-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C18H15FN8/c1-12-8-27(24-23-12)11-26-10-21-17(14-7-22-25(2)9-14)18(26)15-4-3-13(6-20)5-16(15)19/h3-5,7-10H,11H2,1-2H3
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n/an/an/an/a 237n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368542
PNG
(1-(1H-pyrazol-1-yl)-N- (1H- pyrazolo[4,3-b]pyridin...)
Show SMILES N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1
Show InChI InChI=1S/C18H13N7/c1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25/h1-11H,(H2,22,23,24)
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n/an/an/an/a 63n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368537
PNG
(1-(3,3-difluoropyrrolidin- 1-yl)-N-(1H- pyrazolo[4...)
Show SMILES FC1(F)CCN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C19H16F2N6/c20-19(21)6-9-27(11-19)18-14-4-3-13(10-12(14)5-8-23-18)24-17-16-15(25-26-17)2-1-7-22-16/h1-5,7-8,10H,6,9,11H2,(H2,24,25,26)
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n/an/an/an/a 249n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM368531
PNG
(N-(1H-pyrazolo[4,3-b] pyridin-3-yl)-1-(2- (trifluo...)
Show SMILES FC(F)(F)C1CCCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
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n/an/an/an/a 306n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50078635
PNG
(CHEMBL4797966 | US11242342, Compound 23)
Show SMILES COCCNc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C18H15FN8/c1-12-8-27(24-23-12)11-26-10-21-17(15-7-22-25(2)9-15)18(26)13-3-4-14(6-20)16(19)5-13/h3-5,7-10H,11H2,1-2H3
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n/an/an/an/a 121n/an/an/an/a


TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair
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