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Compile Data Set for Download or QSAR

Found 938 hits with Last Name = 'davie' and Initial = 'rl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PC sid
UniChem
US Patent
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


(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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UniChem
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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PC sid
UniChem
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)
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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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US Patent
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


(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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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


(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


(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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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)
PDB

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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


(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)
PDB

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UniChem
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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)
PDB

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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)
PDB

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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


(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)
PDB

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PC sid
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n/an/a 2n/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))
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)
PDB

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n/an/a 2n/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))
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)
PDB

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n/an/a 2n/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))
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)
PDB

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n/an/a 2n/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))
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)
PDB

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n/an/a 2n/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))
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)
PDB

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UniChem
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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))
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)
PDB

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UniChem
US Patent
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)
PDB

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UniChem
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n/an/a 2.16n/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))
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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n/an/a 2.29n/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))
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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n/an/a 2.40n/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))
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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n/an/a 2.40n/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))
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


(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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n/an/a 2.80n/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))
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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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 US9670157 (2017)


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


(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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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 US9670157 (2017)


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


(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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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 US9670157 (2017)


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


(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)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263252
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-pheny...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3ccccc3)cc2)c1
Show InChI InChI=1S/C32H29N7O/c1-22-16-36-38(18-22)19-23-7-9-24(10-8-23)20-39-21-29(30(37-39)26-5-3-2-4-6-26)32(40)35-17-25-11-12-28-27(15-25)13-14-34-31(28)33/h2-16,18,21H,17,19-20H2,1H3,(H2,33,34)(H,35,40)
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n/an/a 3.68n/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))
BDBM263213
PNG
(1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES Cc1nc2[nH]ccc2c(C)c1CNC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1C(F)(F)F
Show InChI InChI=1S/C28H25F3N6O2/c1-17-21-10-11-32-26(21)34-18(2)22(17)13-33-27(39)23-16-37(35-25(23)28(29,30)31)15-20-8-6-19(7-9-20)14-36-12-4-3-5-24(36)38/h3-12,16H,13-15H2,1-2H3,(H,32,34)(H,33,39)
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n/an/a 3.72n/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))
BDBM263263
PNG
(2,5-dimethyl-1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-be...)
Show SMILES Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
Show InChI InChI=1S/C30H29N5O2/c1-20-15-27(30(37)33-17-24-10-11-26-25(16-24)12-13-32-29(26)31)21(2)35(20)19-23-8-6-22(7-9-23)18-34-14-4-3-5-28(34)36/h3-16H,17-19H2,1-2H3,(H2,31,32)(H,33,37)
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n/an/a 3.90n/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))
BDBM187087
PNG
(US9670157, 101 2,5-Dimethyl-1-[4-(4-methyl-pyrazol...)
Show SMILES Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4c(C)cc(CN)cc4C)c3C)cc2)c1
Show InChI InChI=1S/C29H35N5O/c1-19-14-32-33(16-19)17-24-6-8-25(9-7-24)18-34-22(4)12-27(23(34)5)29(35)31-15-28-20(2)10-26(13-30)11-21(28)3/h6-12,14,16H,13,15,17-18,30H2,1-5H3,(H,31,35)
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n/an/a 4n/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))
BDBM263317
PNG
(3-amino-1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-1...)
Show SMILES Nc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C24H26N8O/c25-22-19-5-3-16(11-18(19)7-8-27-22)12-29-24(33)20-15-32(30-23(20)26)14-17-4-6-21(28-13-17)31-9-1-2-10-31/h3-8,11,13,15H,1-2,9-10,12,14H2,(H2,25,27)(H2,26,30)(H,29,33)
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n/an/a 4.15n/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))
BDBM263228
PNG
(3-cyclobutyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-be...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C3CCC3)cc2)c1
Show InChI InChI=1S/C30H31N7O/c1-20-14-34-36(16-20)17-21-5-7-22(8-6-21)18-37-19-27(28(35-37)24-3-2-4-24)30(38)33-15-23-9-10-26-25(13-23)11-12-32-29(26)31/h5-14,16,19,24H,2-4,15,17-18H2,1H3,(H2,31,32)(H,33,38)
PDB

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n/an/a 4.62n/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))
BDBM263262
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-thiop...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3ccsc3)cc2)c1
Show InChI InChI=1S/C30H27N7OS/c1-20-13-34-36(15-20)16-21-2-4-22(5-3-21)17-37-18-27(28(35-37)25-9-11-39-19-25)30(38)33-14-23-6-7-26-24(12-23)8-10-32-29(26)31/h2-13,15,18-19H,14,16-17H2,1H3,(H2,31,32)(H,33,38)
PDB

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n/an/a 4.85n/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))
BDBM187095
PNG
(US9670157, 109 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C24H27N7O/c1-17-11-27-30(13-17)14-19-3-5-20(6-4-19)15-31-16-23(28-29-31)24(32)26-12-22-8-7-21(10-25)9-18(22)2/h3-9,11,13,16H,10,12,14-15,25H2,1-2H3,(H,26,32)
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n/an/a 5n/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))
BDBM261344
PNG
(1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cnc2[nH]ccc2c1
Show InChI InChI=1S/C26H21F3N6O2/c27-26(28,29)23-21(25(37)32-13-19-11-20-8-9-30-24(20)31-12-19)16-35(33-23)15-18-6-4-17(5-7-18)14-34-10-2-1-3-22(34)36/h1-12,16H,13-15H2,(H,30,31)(H,32,37)
PDB

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n/an/a 5.38n/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))
BDBM263281
PNG
(1-[6-((s)-3-methyl-pyrrolidin-1-yl)-pyridin-3-ylme...)
Show SMILES C[C@H]1CCN(C1)c1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C26H26F3N7O/c1-16-7-9-35(13-16)22-5-3-18(12-32-22)14-36-15-21(23(34-36)26(27,28)29)25(37)33-11-17-2-4-20-19(10-17)6-8-31-24(20)30/h2-6,8,10,12,15-16H,7,9,11,13-14H2,1H3,(H2,30,31)(H,33,37)/t16-/m0/s1
PDB

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n/an/a 5.84n/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))
BDBM186837
PNG
(US9670157, 3 2,5-Dimethyl-1-(2-phenyl-thiazol-4-yl...)
Show SMILES Cc1cc(C(=O)NCc2c(C)cc(CN)cc2C)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C27H30N4OS/c1-17-10-21(13-28)11-18(2)25(17)14-29-26(32)24-12-19(3)31(20(24)4)15-23-16-33-27(30-23)22-8-6-5-7-9-22/h5-12,16H,13-15,28H2,1-4H3,(H,29,32)
PDB

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n/an/a 6n/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))
BDBM263236
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-morph...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)N3CCOCC3)cc2)c1
Show InChI InChI=1S/C30H32N8O2/c1-21-15-34-37(17-21)18-22-2-4-23(5-3-22)19-38-20-27(29(35-38)36-10-12-40-13-11-36)30(39)33-16-24-6-7-26-25(14-24)8-9-32-28(26)31/h2-9,14-15,17,20H,10-13,16,18-19H2,1H3,(H2,31,32)(H,33,39)
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n/an/a 6.46n/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))
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)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Plasma kallikrein


(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)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM186920
PNG
(US9670157, 86 1-[4-(3,5-Dimethyl-pyrazol-1-ylmethy...)
Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc(CN)cc3)cc2)n1
Show InChI InChI=1S/C25H28N6O/c1-18-11-19(2)31(29-18)16-23-9-7-22(8-10-23)15-30-17-24(14-28-30)25(32)27-13-21-5-3-20(12-26)4-6-21/h3-11,14,17H,12-13,15-16,26H2,1-2H3,(H,27,32)
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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 US9670157 (2017)


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


(Homo sapiens (Human))
BDBM263240
PNG
(3-cyclopropyl-1-(5-methoxy-6-pyrrolidin-1-yl-pyrid...)
Show SMILES COc1cc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C2CC2)cnc1N1CCCC1
Show InChI InChI=1S/C28H31N7O2/c1-37-24-13-19(15-31-27(24)34-10-2-3-11-34)16-35-17-23(25(33-35)20-5-6-20)28(36)32-14-18-4-7-22-21(12-18)8-9-30-26(22)29/h4,7-9,12-13,15,17,20H,2-3,5-6,10-11,14,16H2,1H3,(H2,29,30)(H,32,36)
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n/an/a 7.31n/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))
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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n/an/a 8n/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))
BDBM187105
PNG
(US9670157, 119 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)c(F)c4C)c(n3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C26H26F4N6O/c1-16-10-33-35(12-16)13-18-3-5-19(6-4-18)14-36-15-22(24(34-36)26(28,29)30)25(37)32-11-21-8-7-20(9-31)23(27)17(21)2/h3-8,10,12,15H,9,11,13-14,31H2,1-2H3,(H,32,37)
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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 US9670157 (2017)


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


(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)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263282
PNG
(1-[6-((s)-3-fluoro-pyrrolidin-1-yl)-pyridin-3-ylme...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CC[C@H](F)C4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H23F4N7O/c26-18-6-8-35(13-18)21-4-2-16(11-32-21)12-36-14-20(22(34-36)25(27,28)29)24(37)33-10-15-1-3-19-17(9-15)5-7-31-23(19)30/h1-5,7,9,11,14,18H,6,8,10,12-13H2,(H2,30,31)(H,33,37)/t18-/m0/s1
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n/an/a 9.61n/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))
BDBM263239
PNG
(1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CCCC4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H24F3N7O/c26-25(27,28)22-20(24(36)32-12-16-3-5-19-18(11-16)7-8-30-23(19)29)15-35(33-22)14-17-4-6-21(31-13-17)34-9-1-2-10-34/h3-8,11,13,15H,1-2,9-10,12,14H2,(H2,29,30)(H,32,36)
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n/an/a 9.66n/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
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