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Found 736 hits Enz. Inhib. hit(s) with Target = 'Plasma Kallikrein (PKal)'   
Target
(Institution)
LigandTarget
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
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212110
PNG
(US9290485, 142)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212116
PNG
(US9290485, 148)
Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212114
PNG
(US9290485, 146)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)c1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM211977
PNG
(US9290485, 9)
Show SMILES COc1cc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)ccc1Cn1cccn1
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212115
PNG
(US9290485, 147)
Show SMILES Cc1ccnn1Cc1ccc(Cn2cc(nn2)C(=O)NCc2c(C)cc(N)nc2C)cc1
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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212136
PNG
(US9290485, 168)
Show SMILES Cc1cc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C
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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212004
PNG
(US9290485, 36)
Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM211974
PNG
(US9290485, 6)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1
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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212134
PNG
(US9290485, 166)
Show SMILES Cc1c(C)c2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C
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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212135
PNG
(US9290485, 167)
Show SMILES Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1
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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212113
PNG
(US9290485, 145)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
PDB
MMDB

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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(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
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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212124
PNG
(US9290485, 156)
Show SMILES Cc1ccc2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cnc2c1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212109
PNG
(US9290485, 141)
Show SMILES Cc1cc(=O)n(C)n1Cc1ccc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)cc1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212122
PNG
(US9290485, 154)
Show SMILES Cc1ccc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1
PDB
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n/an/a 2n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212125
PNG
(US9290485, 157)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1
PDB
MMDB

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n/an/a 2n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212062
PNG
(US9290485, 94)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(OCc3ccccc3)cc2)c1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212111
PNG
(US9290485, 143)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCCC3=O)cc2)c1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212123
PNG
(US9290485, 155)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1
PDB
MMDB

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n/an/a 3n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212137
PNG
(US9290485, 169)
Show SMILES Cc1cn2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1
PDB
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n/an/a 3n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200184
PNG
(US9234000, 175)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C32H34ClN5O4S/c1-2-42-25-11-9-21(10-12-25)16-28(38-32(41)29-26(33)13-15-43-29)31(40)37-27(17-24-4-3-14-35-19-24)30(39)36-20-23-7-5-22(18-34)6-8-23/h3-15,19,27-28H,2,16-18,20,34H2,1H3,(H,36,39)(H,37,40)(H,38,41)/t27-,28+/m0/s1
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n/an/a 3n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212043
PNG
(US9290485, 75)
Show SMILES Cc1[nH]c2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1C
PDB
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n/an/a 3.10n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212083
PNG
(US9290485, 115)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(c2)-c2ccccc2)c1
PDB
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n/an/a 3.30n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212126
PNG
(US9290485, 158)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ccc(Cl)cc3n2)nn1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212129
PNG
(US9290485, 161)
Show SMILES Cc1cc(C)c2cc(Cn3cc(cn3)C(=O)NCc3ccc(N)nc3C)c(C)nc2c1
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212120
PNG
(US9290485, 152)
Show SMILES CN1CCCc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc12
PDB
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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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212108
PNG
(US9290485, 140)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccnn3)cc2)c1
PDB
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n/an/a 4.60n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212107
PNG
(US9290485, 139)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccc(=O)[nH]3)cc2)c1
PDB
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n/an/a 4.90n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212131
PNG
(US9290485, 163)
Show SMILES COc1ccc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2c1
PDB
MMDB

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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212130
PNG
(US9290485, 162)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(c3cc(F)ccc3n2)C(F)(F)F)c1
PDB
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212057
PNG
(US9290485, 89)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(COc3ccccc3)cc2)c1
PDB
MMDB

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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212133
PNG
(US9290485, 165)
Show SMILES Cc1nc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C
PDB
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212127
PNG
(US9290485, 159)
Show SMILES Cc1ccc2cc(Cn3cc(cn3)C(=O)NCc3ccc(N)nc3C)ccc2n1
PDB
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n/an/a 7n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200192
PNG
(US9234000, 183 | US9234000, 187)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C30H34N6O4S2/c1-2-40-23-9-7-19(8-10-23)13-25(36-30(39)27-24(32)11-12-42-27)29(38)35-26(14-22-17-41-18-34-22)28(37)33-16-21-5-3-20(15-31)4-6-21/h3-12,17-18,25-26H,2,13-16,31-32H2,1H3,(H,33,37)(H,35,38)(H,36,39)/t25-,26+/m1/s1
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n/an/a 7n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200207
PNG
(US9234000, 198)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C33H35ClN4O5S/c1-2-43-25-14-12-21(13-15-25)18-27(37-33(42)30-26(34)16-17-44-30)31(40)38-28(29(39)24-6-4-3-5-7-24)32(41)36-20-23-10-8-22(19-35)9-11-23/h3-17,27-29,39H,2,18-20,35H2,1H3,(H,36,41)(H,37,42)(H,38,40)/t27-,28+,29-/m1/s1
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n/an/a 7n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212117
PNG
(US9290485, 149)
Show SMILES Cc1nc(N)cc(OCC(=O)C(C)(C)C)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1
PDB
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n/an/a 7.80n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212008
PNG
(US9290485, 40)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ccccc3c2)nn1
PDB
MMDB

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n/an/a 9n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM211991
PNG
(US9290485, 23)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)cn1
PDB
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n/an/a 9n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200160
PNG
(US9234000, 151)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccsc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C33H36N4O4S/c1-2-41-28-14-12-23(13-15-28)18-30(36-31(38)27-6-4-3-5-7-27)33(40)37-29(19-26-16-17-42-22-26)32(39)35-21-25-10-8-24(20-34)9-11-25/h3-17,22,29-30H,2,18-21,34H2,1H3,(H,35,39)(H,36,38)(H,37,40)/t29-,30+/m0/s1
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n/an/a 9n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212099
PNG
(US9290485, 131)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccn(c1)S(=O)(=O)c1ccc2n(C)ccc2c1
PDB
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n/an/a 9n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212138
PNG
(US9290485, 170)
Show SMILES Cc1ccc2cc(Cc3nc(co3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1
PDB
MMDB

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n/an/a 9.70n/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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200190
PNG
(US9234000, 181)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2sccc2C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C33H37N5O4S/c1-3-42-27-12-10-23(11-13-27)17-29(38-33(41)30-22(2)14-16-43-30)32(40)37-28(18-26-5-4-15-35-20-26)31(39)36-21-25-8-6-24(19-34)7-9-25/h4-16,20,28-29H,3,17-19,21,34H2,1-2H3,(H,36,39)(H,37,40)(H,38,41)/t28-,29+/m0/s1
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n/an/a 10n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200193
PNG
(US9234000, 184)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C30H32ClN5O4S2/c1-2-40-23-9-7-19(8-10-23)13-25(36-30(39)27-24(31)11-12-42-27)29(38)35-26(14-22-17-41-18-34-22)28(37)33-16-21-5-3-20(15-32)4-6-21/h3-12,17-18,25-26H,2,13-16,32H2,1H3,(H,33,37)(H,35,38)(H,36,39)/t25-,26+/m1/s1
PDB
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n/an/a 10n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200208
PNG
(US9234000, 199)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C35H39N5O4/c1-3-44-30-16-12-25(13-17-30)19-32(39-33(41)29-14-6-24(2)7-15-29)35(43)40-31(20-28-5-4-18-37-22-28)34(42)38-23-27-10-8-26(21-36)9-11-27/h4-18,22,31-32H,3,19-21,23,36H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1
PDB
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n/an/a 10n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM212118
PNG
(US9290485, 150)
Show SMILES COCCN1CCCc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc12
PDB
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n/an/a 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)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200171
PNG
(US9234000, 162)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2cccs2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C32H35N5O4S/c1-2-41-26-13-11-22(12-14-26)17-28(37-32(40)29-6-4-16-42-29)31(39)36-27(18-25-5-3-15-34-20-25)30(38)35-21-24-9-7-23(19-33)8-10-24/h3-16,20,27-28H,2,17-19,21,33H2,1H3,(H,35,38)(H,36,39)(H,37,40)/t27-,28+/m0/s1
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n/an/a 10n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200134
PNG
(US9234000, 125)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C33H37N5O4S/c1-2-42-26-14-12-23(13-15-26)19-29(38-33(41)30-27(35)16-17-43-30)32(40)37-28(18-22-6-4-3-5-7-22)31(39)36-21-25-10-8-24(20-34)9-11-25/h3-17,28-29H,2,18-21,34-35H2,1H3,(H,36,39)(H,37,40)(H,38,41)/t28-,29+/m0/s1
PDB
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n/an/a 10n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200162
PNG
(US9234000, 153)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C37H38N4O4S/c1-2-45-30-18-16-25(17-19-30)20-32(40-35(42)28-8-4-3-5-9-28)37(44)41-33(21-29-24-46-34-11-7-6-10-31(29)34)36(43)39-23-27-14-12-26(22-38)13-15-27/h3-19,24,32-33H,2,20-23,38H2,1H3,(H,39,43)(H,40,42)(H,41,44)/t32-,33+/m1/s1
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n/an/a 10n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM200169
PNG
(US9234000, 160)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C35H39N5O5/c1-3-45-30-14-10-24(11-15-30)19-32(39-33(41)28-12-16-29(44-2)17-13-28)35(43)40-31(20-27-5-4-18-37-22-27)34(42)38-23-26-8-6-25(21-36)7-9-26/h4-18,22,31-32H,3,19-21,23,36H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1
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US Patent
n/an/a 10n/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 US9234000 (2016)

More data for this
Ligand-Target Pair
Plasma Kallikrein (PKal)


(Homo sapiens (human))
BDBM12972
PNG
((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C32H41BrN8O5S/c1-18(2)26(29(45)39-24(5-4-14-37-31(34)35)27(43)30-36-15-16-47-30)41-28(44)25(17-20-6-12-23(42)13-7-20)40-32(46)38-19(3)21-8-10-22(33)11-9-21/h6-13,15-16,18-19,24-26,42H,4-5,14,17H2,1-3H3,(H,39,45)(H,41,44)(H4,34,35,37)(H2,38,40,46)/t19-,24+,25+,26+/m1/s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of kallikrein


Citation and Details
More data for this
Ligand-Target Pair
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