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Patent code US9670157

Compile Data Set for Download or QSAR

Found 271 hits of Enzyme Inhibition Constant Data   
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 (KLKB1)


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


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


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


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


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


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


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

US Patent


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


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


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

US Patent


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


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


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

US Patent


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


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


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

US Patent


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


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


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

US Patent


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


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


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

US Patent


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


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


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

US Patent


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


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


(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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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...


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


(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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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...


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


(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)
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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...


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


(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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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...


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


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


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


(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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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...


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


(Homo sapiens (Human))
BDBM186919
PNG
(US9670157, 85 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-b...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc(CN)cc3)cc2)c1
Show InChI InChI=1S/C24H26N6O/c1-18-11-27-29(14-18)15-21-6-8-22(9-7-21)16-30-17-23(13-28-30)24(31)26-12-20-4-2-19(10-25)3-5-20/h2-9,11,13-14,17H,10,12,15-16,25H2,1H3,(H,26,31)
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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...


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


(Homo sapiens (Human))
BDBM186952
PNG
(US9670157, 94 2,5-Dimethyl-1-[4-(2-oxo-2H-pyridin-...)
Show SMILES Cc1cc(C(=O)NCc2c(C)cc(CN)cc2C)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
Show InChI InChI=1S/C30H34N4O2/c1-20-13-26(16-31)14-21(2)28(20)17-32-30(36)27-15-22(3)34(23(27)4)19-25-10-8-24(9-11-25)18-33-12-6-5-7-29(33)35/h5-15H,16-19,31H2,1-4H3,(H,32,36)
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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...


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


(Homo sapiens (Human))
BDBM187088
PNG
(US9670157, 102 1-Ethyl-4-methyl-5-[4-(4-methyl-pyr...)
Show SMILES CCn1c(cc(C)c1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C30H37N5O/c1-6-35-28(14-24-7-9-25(10-8-24)19-34-18-20(2)16-33-34)23(5)13-29(35)30(36)32-17-27-21(3)11-26(15-31)12-22(27)4/h7-13,16,18H,6,14-15,17,19,31H2,1-5H3,(H,32,36)
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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...


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


(Homo sapiens (Human))
BDBM186836
PNG
(US9670157, 2 2,5-Dimethyl-1-(2-phenyl-thiazol-4-yl...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2C)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C26H28N4OS/c1-17-11-20(13-27)9-10-22(17)14-28-25(31)24-12-18(2)30(19(24)3)15-23-16-32-26(29-23)21-7-5-4-6-8-21/h4-12,16H,13-15,27H2,1-3H3,(H,28,31)
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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...


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


(Homo sapiens (Human))
BDBM186954
PNG
(US9670157, 95 1-Ethyl-4-methyl-5-[4-(2-oxo-2H-pyri...)
Show SMILES CCc1c(Cc2ccc(Cn3ccccc3=O)cc2)c(C)cc1C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C32H36N3O2/c1-5-27-28(17-24-9-11-25(12-10-24)20-35-13-7-6-8-31(35)36)23(4)16-29(27)32(37)34-19-30-21(2)14-26(18-33)15-22(30)3/h6-16H,5,17-20,33H2,1-4H3,(H,34,37)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM187115
PNG
(US9670157, 129 1-(2-Pyrrolidin-1-yl-pyridin-4-ylme...)
Show SMILES Cc1cc(CN)cc(C)c1CNC(=O)c1cn(Cc2ccnc(c2)N2CCCC2)nc1C(F)(F)F
Show InChI InChI=1S/C25H29F3N6O/c1-16-9-19(12-29)10-17(2)20(16)13-31-24(35)21-15-34(32-23(21)25(26,27)28)14-18-5-6-30-22(11-18)33-7-3-4-8-33/h5-6,9-11,15H,3-4,7-8,12-14,29H2,1-2H3,(H,31,35)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186956
PNG
(US9670157, 97 2,5-Dimethyl-1-[4-(4-methyl-pyrazol-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc(CN)cc4C)c3C)cc2)c1
Show InChI InChI=1S/C28H33N5O/c1-19-14-31-32(16-19)17-23-5-7-24(8-6-23)18-33-21(3)12-27(22(33)4)28(34)30-15-26-10-9-25(13-29)11-20(26)2/h5-12,14,16H,13,15,17-18,29H2,1-4H3,(H,30,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186949
PNG
(US9670157, 91 2,5-Dimethyl-1-[4-(2-oxo-2H-pyridin-...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2C)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
Show InChI InChI=1S/C29H32N4O2/c1-20-14-25(16-30)11-12-26(20)17-31-29(35)27-15-21(2)33(22(27)3)19-24-9-7-23(8-10-24)18-32-13-5-4-6-28(32)34/h4-15H,16-19,30H2,1-3H3,(H,31,35)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186888
PNG
(US9670157, 54 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES COc1cc(CN)ccc1CNC(=O)c1cc(C)n(Cc2csc(n2)-c2ccccc2)c1C
Show InChI InChI=1S/C26H28N4O2S/c1-17-11-23(25(31)28-14-21-10-9-19(13-27)12-24(21)32-3)18(2)30(17)15-22-16-33-26(29-22)20-7-5-4-6-8-20/h4-12,16H,13-15,27H2,1-3H3,(H,28,31)
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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...


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


(Homo sapiens (Human))
BDBM187090
PNG
(US9670157, 104 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc(CN)cc3)cc2)c1
Show InChI InChI=1S/C24H26N6O/c1-18-11-28-30(13-18)15-22-8-6-21(7-9-22)14-29-16-23(27-17-29)24(31)26-12-20-4-2-19(10-25)3-5-20/h2-9,11,13,16-17H,10,12,14-15,25H2,1H3,(H,26,31)
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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...


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


(Homo sapiens (Human))
BDBM187094
PNG
(US9670157, 108 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc(CN)cc3)cc2)c1
Show InChI InChI=1S/C23H25N7O/c1-17-11-26-29(13-17)14-20-6-8-21(9-7-20)15-30-16-22(27-28-30)23(31)25-12-19-4-2-18(10-24)3-5-19/h2-9,11,13,16H,10,12,14-15,24H2,1H3,(H,25,31)
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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...


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


(Homo sapiens (Human))
BDBM186959
PNG
(US9670157, 99 1-Ethyl-4-methyl-5-[4-(4-methyl-pyra...)
Show SMILES CCc1c(cc(C)n1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1ccc(CN)cc1C
Show InChI InChI=1S/C29H35N5O/c1-5-28-27(29(35)31-16-26-11-10-25(14-30)12-21(26)3)13-22(4)34(28)19-24-8-6-23(7-9-24)18-33-17-20(2)15-32-33/h6-13,15,17H,5,14,16,18-19,30H2,1-4H3,(H,31,35)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186950
PNG
(US9670157, 92 1-Ethyl-4-methyl-5-[4-(2-oxo-2H-pyri...)
Show SMILES CCn1c(Cc2ccc(Cn3ccccc3=O)cc2)c(C)cc1C(=O)NCc1ccc(CN)cc1C
Show InChI InChI=1S/C30H34N4O2/c1-4-34-27(17-23-8-10-24(11-9-23)20-33-14-6-5-7-29(33)35)22(3)16-28(34)30(36)32-19-26-13-12-25(18-31)15-21(26)2/h5-16H,4,17-20,31H2,1-3H3,(H,32,36)
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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...


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


(Homo sapiens (Human))
BDBM187103
PNG
(US9670157, 117 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)c(F)c4)c(n3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H24F4N6O/c1-16-10-32-34(12-16)13-17-2-4-18(5-3-17)14-35-15-21(23(33-35)25(27,28)29)24(36)31-11-19-6-7-20(9-30)22(26)8-19/h2-8,10,12,15H,9,11,13-14,30H2,1H3,(H,31,36)
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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...


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


(Homo sapiens (Human))
BDBM186884
PNG
(US9670157, 50 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2C(F)(F)F)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C26H25F3N4OS/c1-16-10-22(24(34)31-13-20-9-8-18(12-30)11-23(20)26(27,28)29)17(2)33(16)14-21-15-35-25(32-21)19-6-4-3-5-7-19/h3-11,15H,12-14,30H2,1-2H3,(H,31,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186835
PNG
(US9670157, 1 2,5-Dimethyl-1-(2-phenyl-thiazol-4-yl...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H26N4OS/c1-17-12-23(24(30)27-14-20-10-8-19(13-26)9-11-20)18(2)29(17)15-22-16-31-25(28-22)21-6-4-3-5-7-21/h3-12,16H,13-15,26H2,1-2H3,(H,27,30)
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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...


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


(Homo sapiens (Human))
BDBM186955
PNG
(US9670157, 96 2,5-Dimethyl-1-[4-(4-methyl-pyrazol-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc(CN)cc4)c3C)cc2)c1
Show InChI InChI=1S/C27H31N5O/c1-19-14-30-31(16-19)17-24-8-10-25(11-9-24)18-32-20(2)12-26(21(32)3)27(33)29-15-23-6-4-22(13-28)5-7-23/h4-12,14,16H,13,15,17-18,28H2,1-3H3,(H,29,33)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186881
PNG
(US9670157, 47 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2F)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H25FN4OS/c1-16-10-22(24(31)28-13-20-9-8-18(12-27)11-23(20)26)17(2)30(16)14-21-15-32-25(29-21)19-6-4-3-5-7-19/h3-11,15H,12-14,27H2,1-2H3,(H,28,31)
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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...


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


(Homo sapiens (Human))
BDBM186883
PNG
(US9670157, 49 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2Cl)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H25ClN4OS/c1-16-10-22(24(31)28-13-20-9-8-18(12-27)11-23(20)26)17(2)30(16)14-21-15-32-25(29-21)19-6-4-3-5-7-19/h3-11,15H,12-14,27H2,1-2H3,(H,28,31)
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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...


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


(Homo sapiens (Human))
BDBM186948
PNG
(US9670157, 90 2,5-Dimethyl-1-[4-(2-oxo-2H-pyridin-...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
Show InChI InChI=1S/C28H30N4O2/c1-20-15-26(28(34)30-17-23-8-6-22(16-29)7-9-23)21(2)32(20)19-25-12-10-24(11-13-25)18-31-14-4-3-5-27(31)33/h3-15H,16-19,29H2,1-2H3,(H,30,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186838
PNG
(US9670157, 4 2,5-Dimethyl-1-(2-phenyl-thiazol-4-yl...)
Show SMILES Cc1cc(C(=O)NCc2ccc(cc2)C2(N)CC2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C27H28N4OS/c1-18-14-24(25(32)29-15-20-8-10-22(11-9-20)27(28)12-13-27)19(2)31(18)16-23-17-33-26(30-23)21-6-4-3-5-7-21/h3-11,14,17H,12-13,15-16,28H2,1-2H3,(H,29,32)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186879
PNG
(US9670157, 45 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)c(F)c2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H25FN4OS/c1-16-10-22(24(31)28-13-18-8-9-20(12-27)23(26)11-18)17(2)30(16)14-21-15-32-25(29-21)19-6-4-3-5-7-19/h3-11,15H,12-14,27H2,1-2H3,(H,28,31)
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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...


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


(Homo sapiens (Human))
BDBM186863
PNG
(US9670157, 29 1-[2-(3-Fluoro-phenyl)-thiazol-4-ylm...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cccc(F)c1
Show InChI InChI=1S/C25H25FN4OS/c1-16-10-23(24(31)28-13-19-8-6-18(12-27)7-9-19)17(2)30(16)14-22-15-32-25(29-22)20-4-3-5-21(26)11-20/h3-11,15H,12-14,27H2,1-2H3,(H,28,31)
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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...


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


(Homo sapiens (Human))
BDBM187107
PNG
(US9670157, 121 1-Ethyl-4-methyl-5-[4-(4-methyl-pyr...)
Show SMILES CCn1c(cc(C)c1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C28H33N5O/c1-4-33-26(14-22-5-11-25(12-6-22)19-32-18-20(2)16-31-32)21(3)13-27(33)28(34)30-17-24-9-7-23(15-29)8-10-24/h5-13,16,18H,4,14-15,17,19,29H2,1-3H3,(H,30,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM187107
PNG
(US9670157, 121 1-Ethyl-4-methyl-5-[4-(4-methyl-pyr...)
Show SMILES CCn1c(cc(C)c1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C28H33N5O/c1-4-33-26(14-22-5-11-25(12-6-22)19-32-18-20(2)16-31-32)21(3)13-27(33)28(34)30-17-24-9-7-23(15-29)8-10-24/h5-13,16,18H,4,14-15,17,19,29H2,1-3H3,(H,30,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186871
PNG
(US9670157, 37 2,5-Dimethyl-1-(2-thiophen-3-yl-thia...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccsc1
Show InChI InChI=1S/C23H24N4OS2/c1-15-9-21(22(28)25-11-18-5-3-17(10-24)4-6-18)16(2)27(15)12-20-14-30-23(26-20)19-7-8-29-13-19/h3-9,13-14H,10-12,24H2,1-2H3,(H,25,28)
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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...


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


(Homo sapiens (Human))
BDBM186850
PNG
(US9670157, 16 2,5-Dimethyl-1-(6-phenyl-pyridin-2-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O/c1-19-15-25(27(32)29-17-22-13-11-21(16-28)12-14-22)20(2)31(19)18-24-9-6-10-26(30-24)23-7-4-3-5-8-23/h3-15H,16-18,28H2,1-2H3,(H,29,32)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186877
PNG
(US9670157, 43 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)nc2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C24H25N5OS/c1-16-10-22(23(30)27-13-18-8-9-20(11-25)26-12-18)17(2)29(16)14-21-15-31-24(28-21)19-6-4-3-5-7-19/h3-10,12,15H,11,13-14,25H2,1-2H3,(H,27,30)
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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...


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


(Homo sapiens (Human))
BDBM186870
PNG
(US9670157, 36 2,5-Dimethyl-1-(2-pyridin-2-yl-thiaz...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccn1
Show InChI InChI=1S/C24H25N5OS/c1-16-11-21(23(30)27-13-19-8-6-18(12-25)7-9-19)17(2)29(16)14-20-15-31-24(28-20)22-5-3-4-10-26-22/h3-11,15H,12-14,25H2,1-2H3,(H,27,30)
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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...


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


(Homo sapiens (Human))
BDBM186947
PNG
(US9670157, 89 1-[4-(2-Oxo-2H-pyridin-1-ylmethyl)-b...)
Show SMILES NC1(CC1)c1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)cc1
Show InChI InChI=1S/C27H27N5O2/c28-27(12-13-27)24-10-8-20(9-11-24)15-29-26(34)23-16-30-32(19-23)18-22-6-4-21(5-7-22)17-31-14-2-1-3-25(31)33/h1-11,14,16,19H,12-13,15,17-18,28H2,(H,29,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM186865
PNG
(US9670157, 31 2,5-Dimethyl-1-(2-pyridin-3-yl-thiaz...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cccnc1
Show InChI InChI=1S/C24H25N5OS/c1-16-10-22(23(30)27-12-19-7-5-18(11-25)6-8-19)17(2)29(16)14-21-15-31-24(28-21)20-4-3-9-26-13-20/h3-10,13,15H,11-12,14,25H2,1-2H3,(H,27,30)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


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

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


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


(Homo sapiens (Human))
BDBM186885
PNG
(US9670157, 51 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES C[C@@H](N)c1ccc(CNC(=O)c2cc(C)n(Cc3csc(n3)-c3ccccc3)c2C)cn1
Show InChI InChI=1S/C25H27N5OS/c1-16-11-22(24(31)28-13-19-9-10-23(17(2)26)27-12-19)18(3)30(16)14-21-15-32-25(29-21)20-7-5-4-6-8-20/h4-12,15,17H,13-14,26H2,1-3H3,(H,28,31)/t17-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM186842
PNG
(US9670157, 19 2,5-Dimethyl-1-(5-methyl-2-phenyl-ox...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(c1)-c1cccnc1
Show InChI InChI=1S/C25H26N4OS/c1-17-10-23(25(30)28-13-20-7-5-19(12-26)6-8-20)18(2)29(17)15-21-11-24(31-16-21)22-4-3-9-27-14-22/h3-11,14,16H,12-13,15,26H2,1-2H3,(H,28,30)
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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...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%