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Compile Data Set for Download or QSAR

Found 2496 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


(Homo sapiens (Human))
BDBM306676
PNG
((+-)-N-[(6-amino-2,4-dimethyl- pyridin-3-yl)methyl...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccc2C3OC(c2c1)c1cc2c(O)nnc(O)c2cc31
PDB

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n/an/a 0n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(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)
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n/an/a 0.0224n/an/an/an/a7.825



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))
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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n/an/a 0.0300n/an/an/an/a7.825



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))
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/a7.825



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))
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)
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n/an/a 0.0912n/an/an/an/a7.825



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))
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)
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n/an/a 0.100n/an/an/an/a7.825



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))
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/a7.825



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))
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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n/an/a 0.134n/an/an/an/a7.825



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))
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/a7.825



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
3D
3D Structure (crystal)
Plasma kallikrein


(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)
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n/an/a 0.200n/an/an/an/a7.825



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))
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/a7.825



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))
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/a7.825



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
PDB

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



Kalvista Pharmaceuticals Limited

US Patent




US Patent US9533987 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G78
More data for this
Ligand-Target Pair
Plasma kallikrein


(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/a7.825



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))
BDBM276779
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
PDB

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n/an/a 0.490n/an/an/an/a7.425



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent




US Patent US10071995 (2018)


BindingDB Entry DOI: 10.7270/Q2H13429
More data for this
Ligand-Target Pair
Plasma kallikrein


(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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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))
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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n/an/a 0.600n/an/an/an/an/an/a



Kalvista Pharmceuticals Limited

US Patent




US Patent US9834513 (2017)

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
PDB

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n/an/a 0.670n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




US Patent US9533987 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G78
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
PDB

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



Kalvista Pharmaceuticals Limited

US Patent




US Patent US9533987 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G78
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306556
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2,6-dimethyl-phenyl)m...)
Show SMILES Cc1cc(cc(C)c1CNC(=O)c1ccc2[C@H]3O[C@@H](c2c1)c1cc(ccc31)-c1ccc(F)cc1F)C(N)=N |r|
PDB

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n/an/a 0.741n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306613
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2,6-difluoro-phenyl)m...)
Show SMILES NC(=N)c1cc(F)c(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2F)c(F)c1 |r|
PDB

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n/an/a 0.759n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306637
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2,6-difluoro-phenyl)m...)
Show SMILES NC(=N)c1cc(F)c(CNC(=O)c2ccc3[C@H]4O[C@H](c5cc(ccc45)C4CC4)c3c2)c(F)c1 |r|
PDB

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n/an/a 0.759n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285517
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB

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n/an/a 0.800n/an/an/an/a7.425



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent




US Patent US10077265 (2018)


BindingDB Entry DOI: 10.7270/Q2XS5XFT
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 |(-10.81,-15.06,;-10.81,-13.52,;-12.06,-12.61,;-11.58,-11.15,;-10.04,-11.15,;-9.14,-9.9,;-7.6,-10.06,;-6.7,-8.82,;-5.17,-8.98,;-4.54,-10.38,;-3.01,-10.55,;-2.1,-9.3,;-2.58,-7.84,;-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;,-4.62,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;-.09,-7.84,;-.56,-9.3,;1.38,-7.36,;1.85,-5.89,;.95,-4.65,;3.39,-5.89,;3.87,-7.36,;2.62,-8.26,;2.62,-9.8,;-5.45,-11.63,;-6.98,-11.47,;-9.56,-12.61,)|
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n/an/a 0.890n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




US Patent US9533987 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G78
More data for this
Ligand-Target Pair
Plasma kallikrein


(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)
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n/an/a 0.920n/an/an/an/a7.825



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
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n/an/a 0.920n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




US Patent US9533987 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G78
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM276767
PNG
(US10071995, Example 1 | US10071995, Example 8)
Show SMILES COCCC(C(=O)Nc1ccc(s1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB

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n/an/a 0.940n/an/an/an/a7.425



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent




US Patent US10071995 (2018)


BindingDB Entry DOI: 10.7270/Q2H13429
More data for this
Ligand-Target Pair
Plasma kallikrein


(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)
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Kalvista Pharmceuticals Limited

US Patent




US Patent US9834513 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(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)
PDB

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Kalvista Pharmceuticals Limited

US Patent




US Patent US9834513 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(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)
PDB

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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


(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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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))
BDBM306620
PNG
((1S,8R)-N-[(4-carbamimidoyl- phenyl)methyl]-12-[(3...)
Show SMILES CN(c1ccc2[C@@H]3O[C@H](c2c1)c1cc(ccc31)C(=O)NCc1ccc(cc1)C(N)=N)c1cccc(Cl)c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306581
PNG
((1R,8S)-N-[(6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccc2[C@H]3O[C@H](c4cc(Cn5ccccc5=O)ccc34)c2c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306565
PNG
((1R,8S)-N-{[6-amino-2-methyl- 4-(propan-2-yl)-pyri...)
Show SMILES CC(C)c1cc(N)nc(C)c1CNC(=O)c1ccc2[C@H]3O[C@@H](c2c1)c1cc(ccc31)-c1ccc(F)cc1F |r|
PDB

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



Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306559
PNG
((1R,8S)-N-[(4- carbamimidoylphenyl) methyl]-12-(2,...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2F)cc1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306558
PNG
((1R,8S)-N-[(4- carbamimidoylphenyl) methyl]-12-(4-...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2)cc1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306538
PNG
((1R,8S)-N-[(6-amino-2,4- dimethylpyridin-3-yl)meht...)
Show SMILES Cc1cnn(Cc2ccc3[C@@H]4O[C@H](c3c2)c2cc(ccc42)C(=O)NCc2c(C)cc(N)nc2C)c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306536
PNG
((1R,8S)-N-[(6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccc2[C@H]3O[C@H](c4cc(Cn5cc(Cl)cn5)ccc34)c2c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306535
PNG
((1R,8S)-N-[(6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccc2[C@H]3O[C@H](c4cc(Cn5cc(F)cn5)ccc34)c2c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306528
PNG
((+-)-N-[(4-carbamimidoylphenyl) methyl]-12-(2,4- d...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3C4OC(c3c2)c2cc(ccc42)-c2ccc(F)cc2F)cc1
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306642
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2,6-difluoro-phenyl)m...)
Show SMILES CC(=C)c1ccc2[C@@H]3O[C@H](c2c1)c1cc(ccc31)C(=O)NCc1c(F)cc(cc1F)C(N)=N |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306647
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2-fluorophenyl)-methy...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccccc2F)c(F)c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306648
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2-fluorophenyl)-methy...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2F)c(F)c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306652
PNG
((1R,8S)-N-((4-carbamimidoyl- 2,6-difluorophenyl)me...)
Show SMILES NC(=N)c1cc(F)c(CNC(=O)c2ccc3[C@H]4O[C@H](c5cc(CCC(F)(F)F)ccc45)c3c2)c(F)c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306658
PNG
((1R,8S)-N-[(4-carbamimidoyl-2- fluorophenyl)-methy...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@H](c5cc(ccc45)C4CC4)c3c2)c(F)c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306662
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2-methylpheny])-methy...)
Show SMILES Cc1cc(ccc1CNC(=O)c1ccc2[C@H]3O[C@@H](c2c1)c1cc(ccc31)-c1ccc(F)cc1F)C(N)=N |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306663
PNG
((1S,8R)-N-[(4-carbamimidoyl- phenyl)methyl]-12-(3,...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@H](c5cc(ccc45)N4CC(F)(F)C4)c3c2)cc1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306668
PNG
((1S,8R)-N-[(4-carbamimidoyl-2- methylphenyl)-methy...)
Show SMILES Cc1cc(ccc1CNC(=O)c1ccc2[C@H]3O[C@@H](c2c1)c1cc(ccc31)-n1cccn1)C(N)=N |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306685
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2-fluorophenyl)-methy...)
Show SMILES NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@@H](c3c2)c2cc(ccc42)-c2ccc(F)cc2)c(F)c1 |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM306686
PNG
((1R,8S)-N-[(4-carbamimidoyl- 2,6-dimethyl-phenyl)m...)
Show SMILES Cc1cc(cc(C)c1CNC(=O)c1ccc2[C@H]3O[C@H](c4cc(ccc34)C3CC3)c2c1)C(N)=N |r|
PDB

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Global Blood Therapeutics, Inc.

US Patent




US Patent US10144746 (2018)


BindingDB Entry DOI: 10.7270/Q2J38VNH
More data for this
Ligand-Target Pair
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