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Compile Data Set for Download or QSAR

Found 1105 hits of ic50 for UniProtKB: P03952   
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
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212110
PNG
(US9290485, 142)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c1-17-11-23(26)29-18(2)22(17)13-27-25(33)21-12-28-31(16-21)15-20-8-6-19(7-9-20)14-30-10-4-3-5-24(30)32/h3-12,16H,13-15H2,1-2H3,(H2,26,29)(H,27,33)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 0.0224n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212116
PNG
(US9290485, 148)
Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1
Show InChI InChI=1S/C24H28N8O/c1-15-9-23(25)27-18(4)21(15)11-26-24(33)22-14-31(30-28-22)12-19-5-7-20(8-6-19)13-32-17(3)10-16(2)29-32/h5-10,14H,11-13H2,1-4H3,(H2,25,27)(H,26,33)
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US Patent
n/an/a 0.0300n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212114
PNG
(US9290485, 146)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)c1
Show InChI InChI=1S/C24H27N7O/c1-16-9-27-30(12-16)13-19-4-6-20(7-5-19)14-31-15-21(10-28-31)24(32)26-11-22-17(2)8-23(25)29-18(22)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,25,29)(H,26,32)
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n/an/a 0.0400n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM211977
PNG
(US9290485, 9)
Show SMILES COc1cc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)ccc1Cn1cccn1
Show InChI InChI=1S/C24H27N7O2/c1-16-9-23(25)29-17(2)21(16)12-26-24(32)20-11-28-31(15-20)13-18-5-6-19(22(10-18)33-3)14-30-8-4-7-27-30/h4-11,15H,12-14H2,1-3H3,(H2,25,29)(H,26,32)
PDB

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n/an/a 0.0912n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212136
PNG
(US9290485, 168)
Show SMILES Cc1cc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C
Show InChI InChI=1S/C23H26N6O/c1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4/h5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30)
PDB

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n/an/a 0.100n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212115
PNG
(US9290485, 147)
Show SMILES Cc1ccnn1Cc1ccc(Cn2cc(nn2)C(=O)NCc2c(C)cc(N)nc2C)cc1
Show InChI InChI=1S/C23H26N8O/c1-15-10-22(24)27-17(3)20(15)11-25-23(32)21-14-30(29-28-21)12-18-4-6-19(7-5-18)13-31-16(2)8-9-26-31/h4-10,14H,11-13H2,1-3H3,(H2,24,27)(H,25,32)
PDB

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n/an/a 0.100n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212004
PNG
(US9290485, 36)
Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1
Show InChI InChI=1S/C25H29N7O/c1-16-9-24(26)29-19(4)23(16)12-27-25(33)22-11-28-31(15-22)13-20-5-7-21(8-6-20)14-32-18(3)10-17(2)30-32/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,33)
PDB

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US Patent
n/an/a 0.134n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212113
PNG
(US9290485, 145)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)21(16)12-25-23(31)20-11-27-30(15-20)14-19-6-4-18(5-7-19)13-29-9-3-8-26-29/h3-11,15H,12-14H2,1-2H3,(H2,24,28)(H,25,31)
PDB

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n/an/a 0.200n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM211974
PNG
(US9290485, 6)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1
Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)20(16)11-25-23(31)21-14-29(15-26-21)12-18-4-6-19(7-5-18)13-30-9-3-8-27-30/h3-10,14-15H,11-13H2,1-2H3,(H2,24,28)(H,25,31)
PDB

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n/an/a 0.200n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212134
PNG
(US9290485, 166)
Show SMILES Cc1c(C)c2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C
Show InChI InChI=1S/C23H27N7O/c1-13-8-22(24)26-15(3)19(13)10-25-23(31)20-12-30(28-27-20)11-17-6-7-21-18(9-17)14(2)16(4)29(21)5/h6-9,12H,10-11H2,1-5H3,(H2,24,26)(H,25,31)
PDB

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n/an/a 0.200n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212135
PNG
(US9290485, 167)
Show SMILES Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1
Show InChI InChI=1S/C24H23ClN6O2/c1-16-20(21(25)10-22(26)29-16)12-27-24(33)19-11-28-31(15-19)14-18-7-5-17(6-8-18)13-30-9-3-2-4-23(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,27,33)
PDB

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n/an/a 0.200n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263238
PNG
(5-amino-1-(4-pyrazol-1-ylmethyl-benzyl)-1h-pyrazol...)
Show SMILES Nc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C25H24N8O/c26-23-21-7-6-19(12-20(21)8-10-28-23)13-29-25(34)22-16-33(31-24(22)27)15-18-4-2-17(3-5-18)14-32-11-1-9-30-32/h1-12,16H,13-15H2,(H2,26,28)(H2,27,31)(H,29,34)
PDB

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n/an/a 0.330n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212141
PNG
(US9290485, 173)
Show SMILES Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C27H29ClN6O3/c1-16-8-24(33-26(36)37-27(3,4)5)32-17(2)22(16)13-30-25(35)20-11-31-34(15-20)14-18-6-7-23-19(9-18)10-21(28)12-29-23/h6-12,15H,13-14H2,1-5H3,(H,30,35)(H,32,33,36)
PDB

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n/an/a 0.400n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187100
PNG
(US9670157, 114 3-Methyl-1-[4-(4-methyl-pyrazol-1-y...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(C)n3)cc2)c1
Show InChI InChI=1S/C27H32N6O/c1-18-12-30-32(14-18)15-22-5-7-23(8-6-22)16-33-17-26(21(4)31-33)27(34)29-13-25-19(2)9-24(11-28)10-20(25)3/h5-10,12,14,17H,11,13,15-16,28H2,1-4H3,(H,29,34)
PDB

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US Patent
n/an/a 0.600n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263258
PNG
(3-amino-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(N)n3)cc2)c1
Show InChI InChI=1S/C26H26N8O/c1-17-11-31-33(13-17)14-18-2-4-19(5-3-18)15-34-16-23(25(28)32-34)26(35)30-12-20-6-7-22-21(10-20)8-9-29-24(22)27/h2-11,13,16H,12,14-15H2,1H3,(H2,27,29)(H2,28,32)(H,30,35)
PDB

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US Patent
n/an/a 0.670n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263231
PNG
(3-cyano-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C#N)cc2)c1
Show InChI InChI=1S/C27H24N8O/c1-18-12-32-34(14-18)15-19-2-4-20(5-3-19)16-35-17-24(25(11-28)33-35)27(36)31-13-21-6-7-23-22(10-21)8-9-30-26(23)29/h2-10,12,14,17H,13,15-16H2,1H3,(H2,29,30)(H,31,36)
PDB

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n/an/a 0.740n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263235
PNG
(3-(3,5-dimethyl-isoxazol-4-yl)-1-[4-(4-methyl-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3c(C)noc3C)cc2)c1
Show InChI InChI=1S/C31H30N8O2/c1-19-13-35-38(15-19)16-22-4-6-23(7-5-22)17-39-18-27(29(36-39)28-20(2)37-41-21(28)3)31(40)34-14-24-8-9-26-25(12-24)10-11-33-30(26)32/h4-13,15,18H,14,16-17H2,1-3H3,(H2,32,33)(H,34,40)
PDB

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n/an/a 0.890n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212124
PNG
(US9290485, 156)
Show SMILES Cc1ccc2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cnc2c1
Show InChI InChI=1S/C22H23N7O/c1-13-4-5-17-8-16(9-24-19(17)6-13)11-29-12-20(27-28-29)22(30)25-10-18-14(2)7-21(23)26-15(18)3/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,25,30)
PDB

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UniChem
US Patent
n/an/a 0.920n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263298
PNG
(1-(4-pyrazol-1-ylmethyl-benzyl)-3-trifluoromethyl-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cccn5)cc4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C26H22F3N7O/c27-26(28,29)23-22(25(37)32-13-19-6-7-21-20(12-19)8-10-31-24(21)30)16-36(34-23)15-18-4-2-17(3-5-18)14-35-11-1-9-33-35/h1-12,16H,13-15H2,(H2,30,31)(H,32,37)
PDB

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US Patent
n/an/a 0.920n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187097
PNG
(US9670157, 111 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C26H30N6O/c1-18-11-29-31(14-18)15-21-4-6-22(7-5-21)16-32-17-24(12-30-32)26(33)28-13-25-19(2)8-23(10-27)9-20(25)3/h4-9,11-12,14,17H,10,13,15-16,27H2,1-3H3,(H,28,33)
PDB

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n/an/a 1n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187104
PNG
(US9670157, 118 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C27H29F3N6O/c1-17-11-33-35(13-17)14-20-4-6-21(7-5-20)15-36-16-24(25(34-36)27(28,29)30)26(37)32-12-23-18(2)8-22(10-31)9-19(23)3/h4-9,11,13,16H,10,12,14-15,31H2,1-3H3,(H,32,37)
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n/an/a 1n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263229
PNG
(3-hydroxymethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(CO)n3)cc2)c1
Show InChI InChI=1S/C27H27N7O2/c1-18-11-31-33(13-18)14-19-2-4-20(5-3-19)15-34-16-24(25(17-35)32-34)27(36)30-12-21-6-7-23-22(10-21)8-9-29-26(23)28/h2-11,13,16,35H,12,14-15,17H2,1H3,(H2,28,29)(H,30,36)
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n/an/a 1.17n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212109
PNG
(US9290485, 141)
Show SMILES Cc1cc(=O)n(C)n1Cc1ccc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)cc1
Show InChI InChI=1S/C25H29N7O2/c1-16-9-23(26)29-18(3)22(16)12-27-25(34)21-11-28-31(15-21)13-19-5-7-20(8-6-19)14-32-17(2)10-24(33)30(32)4/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,34)
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n/an/a 1.20n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263259
PNG
(3-methoxymethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)...)
Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C28H29N7O2/c1-19-12-32-34(14-19)15-20-3-5-21(6-4-20)16-35-17-25(26(33-35)18-37-2)28(36)31-13-22-7-8-24-23(11-22)9-10-30-27(24)29/h3-12,14,17H,13,15-16,18H2,1-2H3,(H2,29,30)(H,31,36)
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n/an/a 1.27n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263261
PNG
(3-difluoromethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C(F)F)cc2)c1
Show InChI InChI=1S/C27H25F2N7O/c1-17-11-33-35(13-17)14-18-2-4-19(5-3-18)15-36-16-23(24(34-36)25(28)29)27(37)32-12-20-6-7-22-21(10-20)8-9-31-26(22)30/h2-11,13,16,25H,12,14-15H2,1H3,(H2,30,31)(H,32,37)
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n/an/a 1.68n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263221
PNG
(3-methyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(C)n3)cc2)c1
Show InChI InChI=1S/C27H27N7O/c1-18-12-31-33(14-18)15-20-3-5-21(6-4-20)16-34-17-25(19(2)32-34)27(35)30-13-22-7-8-24-23(11-22)9-10-29-26(24)28/h3-12,14,17H,13,15-16H2,1-2H3,(H2,28,29)(H,30,35)
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n/an/a 1.89n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM246258
PNG
(US9434690, 164)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH][nH]c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(25(34)28-16-5-6-17-20(10-16)29-30-24(17)33)31-13-22(36-2)19(11-23(31)32)18-9-15(26)4-3-14(18)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,34)
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n/an/a 1.90n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212122
PNG
(US9290485, 154)
Show SMILES Cc1ccc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1
Show InChI InChI=1S/C23H24N6O/c1-14-8-22(24)28-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-7-21-18(9-17)6-4-15(2)27-21/h4-10,13H,11-12H2,1-3H3,(H2,24,28)(H,25,30)
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NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212125
PNG
(US9290485, 157)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-25-22(30)16-9-26-29(11-16)12-18-6-4-15-3-5-17(23)8-20(15)28-18/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,25,30)
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NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187092
PNG
(US9670157, 106 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C25H28N6O/c1-18-11-28-30(14-18)15-20-3-5-21(6-4-20)16-31-17-24(13-29-31)25(32)27-12-23-8-7-22(10-26)9-19(23)2/h3-9,11,13-14,17H,10,12,15-16,26H2,1-2H3,(H,27,32)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM50210127
PNG
(CHEMBL3884851)
Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12
Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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n/an/a 2n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263248
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C26H25N7O/c1-18-11-30-32(14-18)15-19-2-4-20(5-3-19)16-33-17-23(13-31-33)26(34)29-12-21-6-7-24-22(10-21)8-9-28-25(24)27/h2-11,13-14,17H,12,15-16H2,1H3,(H2,27,28)(H,29,34)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187098
PNG
(US9670157, 112 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C26H30N6O/c1-18-11-30-32(13-18)15-22-6-4-21(5-7-22)14-31-16-25(29-17-31)26(33)28-12-24-19(2)8-23(10-27)9-20(24)3/h4-9,11,13,16-17H,10,12,14-15,27H2,1-3H3,(H,28,33)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187099
PNG
(US9670157, 113 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C25H29N7O/c1-17-11-28-31(13-17)14-20-4-6-21(7-5-20)15-32-16-24(29-30-32)25(33)27-12-23-18(2)8-22(10-26)9-19(23)3/h4-9,11,13,16H,10,12,14-15,26H2,1-3H3,(H,27,33)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187110
PNG
(US9670157, 124 3-Methyl-1-(2-methyl-quinolin-6-ylm...)
Show SMILES Cc1nn(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-15-31(30-19(24)4)14-20-6-8-25-22(11-20)7-5-18(3)29-25/h5-11,15H,12-14,27H2,1-4H3,(H,28,32)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212062
PNG
(US9290485, 94)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(OCc3ccccc3)cc2)c1
Show InChI InChI=1S/C26H27N5O2/c1-18-12-25(27)30-19(2)24(18)14-28-26(32)22-13-29-31(16-22)15-20-8-10-23(11-9-20)33-17-21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H2,27,30)(H,28,32)
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n/an/a 2.10n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263342
PNG
(1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1n[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C26H20ClF3N6O2/c27-18-8-9-21-19(11-18)22(33-32-21)12-31-25(38)20-15-36(34-24(20)26(28,29)30)14-17-6-4-16(5-7-17)13-35-10-2-1-3-23(35)37/h1-11,15H,12-14H2,(H,31,38)(H,32,33)
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n/an/a 2.14n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263224
PNG
(3-isopropyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-ben...)
Show SMILES CC(C)c1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C29H31N7O/c1-19(2)27-26(29(37)32-14-23-8-9-25-24(12-23)10-11-31-28(25)30)18-36(34-27)17-22-6-4-21(5-7-22)16-35-15-20(3)13-33-35/h4-13,15,18-19H,14,16-17H2,1-3H3,(H2,30,31)(H,32,37)
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n/an/a 2.14n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263253
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C27H24F3N7O/c1-17-11-34-36(13-17)14-18-2-4-19(5-3-18)15-37-16-23(24(35-37)27(28,29)30)26(38)33-12-20-6-7-22-21(10-20)8-9-32-25(22)31/h2-11,13,16H,12,14-15H2,1H3,(H2,31,32)(H,33,38)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263301
PNG
(1-(6-pyrazol-1-ylmethyl-pyridin-3-ylmethyl)-3-trif...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cccn5)nc4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H21F3N8O/c26-25(27,28)22-21(24(37)32-11-16-3-5-20-18(10-16)6-8-30-23(20)29)15-36(34-22)13-17-2-4-19(31-12-17)14-35-9-1-7-33-35/h1-10,12,15H,11,13-14H2,(H2,29,30)(H,32,37)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263215
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-imid...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C26H25N7O/c1-18-11-31-33(13-18)15-20-4-2-19(3-5-20)14-32-16-24(30-17-32)26(34)29-12-21-6-7-23-22(10-21)8-9-28-25(23)27/h2-11,13,16-17H,12,14-15H2,1H3,(H2,27,28)(H,29,34)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263215
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-imid...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C26H25N7O/c1-18-11-31-33(13-18)15-20-4-2-19(3-5-20)14-32-16-24(30-17-32)26(34)29-12-21-6-7-23-22(10-21)8-9-28-25(23)27/h2-11,13,16-17H,12,14-15H2,1H3,(H2,27,28)(H,29,34)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM50210072
PNG
(CHEMBL3884830)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
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n/an/a 2.40n/an/an/an/an/an/a



Global Blood Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition


ACS Med Chem Lett 8: 185-190 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00384
BindingDB Entry DOI: 10.7270/Q2DB83V8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263223
PNG
(3-cyclopropyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-b...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C3CC3)cc2)c1
Show InChI InChI=1S/C29H29N7O/c1-19-13-33-35(15-19)16-20-2-4-21(5-3-20)17-36-18-26(27(34-36)23-7-8-23)29(37)32-14-22-6-9-25-24(12-22)10-11-31-28(25)30/h2-6,9-13,15,18,23H,7-8,14,16-17H2,1H3,(H2,30,31)(H,32,37)
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n/an/a 2.58n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212111
PNG
(US9290485, 143)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCCC3=O)cc2)c1
Show InChI InChI=1S/C24H28N6O2/c1-16-10-22(25)28-17(2)21(16)12-26-24(32)20-11-27-30(15-20)14-19-7-5-18(6-8-19)13-29-9-3-4-23(29)31/h5-8,10-11,15H,3-4,9,12-14H2,1-2H3,(H2,25,28)(H,26,32)
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n/an/a 2.60n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263250
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-[1,2...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C25H24N8O/c1-17-11-29-32(13-17)14-18-2-4-19(5-3-18)15-33-16-23(30-31-33)25(34)28-12-20-6-7-22-21(10-20)8-9-27-24(22)26/h2-11,13,16H,12,14-15H2,1H3,(H2,26,27)(H,28,34)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187093
PNG
(US9670157, 107 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C25H28N6O/c1-18-11-29-31(13-18)15-21-5-3-20(4-6-21)14-30-16-24(28-17-30)25(32)27-12-23-8-7-22(10-26)9-19(23)2/h3-9,11,13,16-17H,10,12,14-15,26H2,1-2H3,(H,27,32)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187111
PNG
(US9670157, 125 5-Methyl-1-(2-methyl-quinolin-6-ylm...)
Show SMILES Cc1c(cnn1Cc1ccc2nc(C)ccc2c1)C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-14-29-31(19(24)4)15-20-6-8-25-22(11-20)7-5-18(3)30-25/h5-11,14H,12-13,15,27H2,1-4H3,(H,28,32)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM187112
PNG
(US9670157, 126 1-(2-Methyl-quinolin-6-ylmethyl)-3-...)
Show SMILES Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H26F3N5O/c1-15-8-19(11-30)9-16(2)21(15)12-31-25(35)22-14-34(33-24(22)26(27,28)29)13-18-5-7-23-20(10-18)6-4-17(3)32-23/h4-10,14H,11-13,30H2,1-3H3,(H,31,35)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM212123
PNG
(US9290485, 155)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1
Show InChI InChI=1S/C22H22N6O/c1-14-7-21(23)27-15(2)19(14)11-25-22(29)18-10-26-28(13-18)12-16-8-17-5-3-4-6-20(17)24-9-16/h3-10,13H,11-12H2,1-2H3,(H2,23,27)(H,25,29)
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NOVARTIS AG

US Patent


Assay Description
Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...


US Patent US9290485 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G73
More data for this
Ligand-Target Pair
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