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Compile Data Set for Download or QSAR

Found 192 hits Enz. Inhib. hit(s) with all data for entry = 2262   
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))
BDBM359614
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-({4-[(4-methyl...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C28H26N6O/c1-19-13-33-34(17-19)18-21-4-2-20(3-5-21)10-23-12-25(16-30-14-23)28(35)32-15-22-6-7-26-24(11-22)8-9-31-27(26)29/h2-9,11-14,16-17H,10,15,18H2,1H3,(H2,29,31)(H,32,35)
PDB

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n/an/a 3.86n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359712
PNG
(N-{[4-(Aminomethyl)-2,6-dimethylphenyl]methyl}-5-(...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C28H31N5O/c1-19-13-32-33(17-19)18-23-6-4-22(5-7-23)10-25-11-26(15-30-14-25)28(34)31-16-27-20(2)8-24(12-29)9-21(27)3/h4-9,11,13-15,17H,10,12,16,18,29H2,1-3H3,(H,31,34)
PDB

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n/an/a 7.47n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359711
PNG
(N-{[4-(Aminomethyl)-2-methylphenyl]methyl}-5-({4-[...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C27H29N5O/c1-19-13-31-32(17-19)18-22-5-3-21(4-6-22)10-24-11-26(15-29-14-24)27(33)30-16-25-8-7-23(12-28)9-20(25)2/h3-9,11,13-15,17H,10,12,16,18,28H2,1-2H3,(H,30,33)
PDB

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n/an/a 14.4n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359648
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-({3-methoxy-...)
Show SMILES COc1cc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)ccc1Cn1cc(C)cn1
Show InChI InChI=1S/C29H28N6O2/c1-19-13-34-35(17-19)18-24-5-3-20(12-27(24)37-2)9-22-11-25(16-31-14-22)29(36)33-15-21-4-6-26-23(10-21)7-8-32-28(26)30/h3-8,10-14,16-17H,9,15,18H2,1-2H3,(H2,30,32)(H,33,36)
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n/an/a 17.1n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359618
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-6-oxo-1-({4-[(...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccc(=O)n(Cc4ccc(Cn5ccccc5=O)cc4)c3)ccc12
Show InChI InChI=1S/C29H25N5O3/c30-28-25-10-8-22(15-23(25)12-13-31-28)16-32-29(37)24-9-11-27(36)34(19-24)18-21-6-4-20(5-7-21)17-33-14-2-1-3-26(33)35/h1-15,19H,16-18H2,(H2,30,31)(H,32,37)
PDB

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n/an/a 24.7n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359631
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-[(2-methylqu...)
Show SMILES Cc1ccc2cc(Cc3cncc(c3)C(=O)NCc3ccc4c(N)nccc4c3)ccc2n1
Show InChI InChI=1S/C27H23N5O/c1-17-2-5-22-11-18(4-7-25(22)32-17)10-20-13-23(16-29-14-20)27(33)31-15-19-3-6-24-21(12-19)8-9-30-26(24)28/h2-9,11-14,16H,10,15H2,1H3,(H2,28,30)(H,31,33)
PDB

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n/an/a 27.5n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359623
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-6-({4-[(4-meth...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(n3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C27H25N7O/c1-18-12-32-34(16-18)17-20-4-2-19(3-5-20)11-23-14-29-15-25(33-23)27(35)31-13-21-6-7-24-22(10-21)8-9-30-26(24)28/h2-10,12,14-16H,11,13,17H2,1H3,(H2,28,30)(H,31,35)
PDB

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n/an/a 30.8n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359621
PNG
(N-((1-Aminoisoquinolin-6-yl)methyl)-5-(hydroxy(4-(...)
Show SMILES Cc1cnn(Cc2ccc(cc2)C(O)c2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)c1
Show InChI InChI=1S/C28H26N6O2/c1-18-12-33-34(16-18)17-19-2-5-21(6-3-19)26(35)23-11-24(15-30-14-23)28(36)32-13-20-4-7-25-22(10-20)8-9-31-27(25)29/h2-12,14-16,26,35H,13,17H2,1H3,(H2,29,31)(H,32,36)
PDB

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n/an/a 35.3n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359695
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(pyrroli...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccnc(c4)N4CCCC4)c3)ccc12
Show InChI InChI=1S/C26H26N6O/c27-25-23-4-3-19(12-21(23)6-8-30-25)16-31-26(33)22-13-20(15-28-17-22)11-18-5-7-29-24(14-18)32-9-1-2-10-32/h3-8,12-15,17H,1-2,9-11,16H2,(H2,27,30)(H,31,33)
PDB

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n/an/a 37.7n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359689
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-({6-[isoprop...)
Show SMILES CC(C)N(C)c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1
Show InChI InChI=1S/C26H28N6O/c1-17(2)32(3)24-7-5-18(14-30-24)10-20-12-22(16-28-13-20)26(33)31-15-19-4-6-23-21(11-19)8-9-29-25(23)27/h4-9,11-14,16-17H,10,15H2,1-3H3,(H2,27,29)(H,31,33)
PDB

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n/an/a 51.1n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359681
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(diethyl...)
Show SMILES CCN(CC)c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1
Show InChI InChI=1S/C26H28N6O/c1-3-32(4-2)24-8-6-18(15-30-24)11-20-13-22(17-28-14-20)26(33)31-16-19-5-7-23-21(12-19)9-10-29-25(23)27/h5-10,12-15,17H,3-4,11,16H2,1-2H3,(H2,27,29)(H,31,33)
PDB

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n/an/a 52.7n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359635
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-6-(methylamino...)
Show SMILES CNc1ncc(cc1Cc1ccc2nc(C)ccc2c1)C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C28H26N6O/c1-17-3-6-21-11-18(5-8-25(21)34-17)12-22-14-23(16-32-27(22)30-2)28(35)33-15-19-4-7-24-20(13-19)9-10-31-26(24)29/h3-11,13-14,16H,12,15H2,1-2H3,(H2,29,31)(H,30,32)(H,33,35)
PDB

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n/an/a 53.3n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359713
PNG
(N-{[4-(Aminomethyl)-2,6-dimethylphenyl]methyl}-6-(...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(n3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C27H30N6O/c1-18-12-31-33(16-18)17-22-6-4-21(5-7-22)10-24-13-29-15-26(32-24)27(34)30-14-25-19(2)8-23(11-28)9-20(25)3/h4-9,12-13,15-16H,10-11,14,17,28H2,1-3H3,(H,30,34)
PDB

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n/an/a 53.6n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359700
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(3-fluor...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccnc(c4)N4CCC(F)C4)c3)ccc12
Show InChI InChI=1S/C26H25FN6O/c27-22-5-8-33(16-22)24-12-17(3-6-30-24)9-19-11-21(15-29-13-19)26(34)32-14-18-1-2-23-20(10-18)4-7-31-25(23)28/h1-4,6-7,10-13,15,22H,5,8-9,14,16H2,(H2,28,31)(H,32,34)
PDB

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n/an/a 67.8n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359682
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-({6-[2-(hydr...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCCC4CO)c3)ccc12
Show InChI InChI=1S/C27H28N6O2/c28-26-24-5-3-19(11-21(24)7-8-30-26)15-32-27(35)22-12-20(13-29-16-22)10-18-4-6-25(31-14-18)33-9-1-2-23(33)17-34/h3-8,11-14,16,23,34H,1-2,9-10,15,17H2,(H2,28,30)(H,32,35)
PDB

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n/an/a 73.3n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359625
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-({4-[(4-meth...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cnnc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C27H25N7O/c1-18-13-32-34(16-18)17-20-4-2-19(3-5-20)10-22-12-25(33-31-15-22)27(35)30-14-21-6-7-24-23(11-21)8-9-29-26(24)28/h2-9,11-13,15-16H,10,14,17H2,1H3,(H2,28,29)(H,30,35)
PDB

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n/an/a 82.3n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359692
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(3,3-dim...)
Show SMILES CC1(C)CCN(C1)c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1
Show InChI InChI=1S/C28H30N6O/c1-28(2)8-10-34(18-28)25-6-4-19(15-32-25)11-21-13-23(17-30-14-21)27(35)33-16-20-3-5-24-22(12-20)7-9-31-26(24)29/h3-7,9,12-15,17H,8,10-11,16,18H2,1-2H3,(H2,29,31)(H,33,35)
PDB

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n/an/a 83.1n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359698
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(3,3-dif...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccnc(c4)N4CCC(F)(F)C4)c3)ccc12
Show InChI InChI=1S/C26H24F2N6O/c27-26(28)5-8-34(16-26)23-12-17(3-6-31-23)9-19-11-21(15-30-13-19)25(35)33-14-18-1-2-22-20(10-18)4-7-32-24(22)29/h1-4,6-7,10-13,15H,5,8-9,14,16H2,(H2,29,32)(H,33,35)
PDB

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n/an/a 88.5n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359670
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(pyrroli...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCCC4)c3)ccc12
Show InChI InChI=1S/C26H26N6O/c27-25-23-5-3-19(12-21(23)7-8-29-25)16-31-26(33)22-13-20(14-28-17-22)11-18-4-6-24(30-15-18)32-9-1-2-10-32/h3-8,12-15,17H,1-2,9-11,16H2,(H2,27,29)(H,31,33)
PDB

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n/an/a 103n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359707
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-({2-[2-(hydr...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccnc(c4)N4CCCC4CO)c3)ccc12
Show InChI InChI=1S/C27H28N6O2/c28-26-24-4-3-19(11-21(24)6-8-31-26)15-32-27(35)22-12-20(14-29-16-22)10-18-5-7-30-25(13-18)33-9-1-2-23(33)17-34/h3-8,11-14,16,23,34H,1-2,9-10,15,17H2,(H2,28,31)(H,32,35)
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n/an/a 104n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359637
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-2-methyl-5-[(2...)
Show SMILES Cc1ccc2cc(Cc3cnc(C)c(c3)C(=O)NCc3ccc4c(N)nccc4c3)ccc2n1
Show InChI InChI=1S/C28H25N5O/c1-17-3-6-23-12-19(5-8-26(23)33-17)11-21-14-25(18(2)31-16-21)28(34)32-15-20-4-7-24-22(13-20)9-10-30-27(24)29/h3-10,12-14,16H,11,15H2,1-2H3,(H2,29,30)(H,32,34)
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n/an/a 104n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359701
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(3-methy...)
Show SMILES CC1CCN(C1)c1cc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)ccn1
Show InChI InChI=1S/C27H28N6O/c1-18-6-9-33(17-18)25-13-19(4-7-30-25)10-21-12-23(16-29-14-21)27(34)32-15-20-2-3-24-22(11-20)5-8-31-26(24)28/h2-5,7-8,11-14,16,18H,6,9-10,15,17H2,1H3,(H2,28,31)(H,32,34)
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n/an/a 106n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359653
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-[(4-methyl-2...)
Show SMILES CN1CCOc2cc(Cc3cncc(c3)C(=O)NCc3ccc4c(N)nccc4c3)ccc12
Show InChI InChI=1S/C26H25N5O2/c1-31-8-9-33-24-13-17(3-5-23(24)31)10-19-12-21(16-28-14-19)26(32)30-15-18-2-4-22-20(11-18)6-7-29-25(22)27/h2-7,11-14,16H,8-10,15H2,1H3,(H2,27,29)(H,30,32)
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n/an/a 107n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359622
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-6-({4-[(4-meth...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cc(ncn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C27H25N7O/c1-18-13-33-34(15-18)16-20-4-2-19(3-5-20)11-23-12-25(32-17-31-23)27(35)30-14-21-6-7-24-22(10-21)8-9-29-26(24)28/h2-10,12-13,15,17H,11,14,16H2,1H3,(H2,28,29)(H,30,35)
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n/an/a 119n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359655
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(4-methy...)
Show SMILES Cc1cnn(CCOCc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)c1
Show InChI InChI=1S/C23H24N6O2/c1-16-10-28-29(14-16)6-7-31-15-18-9-20(13-25-11-18)23(30)27-12-17-2-3-21-19(8-17)4-5-26-22(21)24/h2-5,8-11,13-14H,6-7,12,15H2,1H3,(H2,24,26)(H,27,30)
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n/an/a 127n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359680
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(2,2-dim...)
Show SMILES CC1(C)CCCN1c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1
Show InChI InChI=1S/C28H30N6O/c1-28(2)9-3-11-34(28)25-7-5-19(16-32-25)12-21-14-23(18-30-15-21)27(35)33-17-20-4-6-24-22(13-20)8-10-31-26(24)29/h4-8,10,13-16,18H,3,9,11-12,17H2,1-2H3,(H2,29,31)(H,33,35)
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n/an/a 131n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359676
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(3-methy...)
Show SMILES CC1CCN(C1)c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1
Show InChI InChI=1S/C27H28N6O/c1-18-7-9-33(17-18)25-5-3-19(14-31-25)10-21-12-23(16-29-13-21)27(34)32-15-20-2-4-24-22(11-20)6-8-30-26(24)28/h2-6,8,11-14,16,18H,7,9-10,15,17H2,1H3,(H2,28,30)(H,32,34)
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n/an/a 137n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359675
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(3-fluor...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCC(F)C4)c3)ccc12
Show InChI InChI=1S/C26H25FN6O/c27-22-6-8-33(16-22)24-4-2-17(13-31-24)9-19-11-21(15-29-12-19)26(34)32-14-18-1-3-23-20(10-18)5-7-30-25(23)28/h1-5,7,10-13,15,22H,6,8-9,14,16H2,(H2,28,30)(H,32,34)
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n/an/a 137n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359646
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-(quinolin-6-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc5ncccc5c4)c3)ccc12
Show InChI InChI=1S/C26H21N5O/c27-25-23-5-3-18(12-20(23)7-9-30-25)15-31-26(32)22-13-19(14-28-16-22)10-17-4-6-24-21(11-17)2-1-8-29-24/h1-9,11-14,16H,10,15H2,(H2,27,30)(H,31,32)
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n/an/a 144n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359673
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(2-methy...)
Show SMILES CC1CCCN1c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1
Show InChI InChI=1S/C27H28N6O/c1-18-3-2-10-33(18)25-7-5-19(15-31-25)11-21-13-23(17-29-14-21)27(34)32-16-20-4-6-24-22(12-20)8-9-30-26(24)28/h4-9,12-15,17-18H,2-3,10-11,16H2,1H3,(H2,28,30)(H,32,34)
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n/an/a 153n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359697
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(2-methy...)
Show SMILES CC1CCCN1c1cc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)ccn1
Show InChI InChI=1S/C27H28N6O/c1-18-3-2-10-33(18)25-14-19(6-8-30-25)11-21-13-23(17-29-15-21)27(34)32-16-20-4-5-24-22(12-20)7-9-31-26(24)28/h4-9,12-15,17-18H,2-3,10-11,16H2,1H3,(H2,28,31)(H,32,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359629
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-1-({4-[(4-meth...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(ccc3=O)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-19-13-32-34(15-19)17-21-4-2-20(3-5-21)16-33-18-24(7-9-26(33)35)28(36)31-14-22-6-8-25-23(12-22)10-11-30-27(25)29/h2-13,15,18H,14,16-17H2,1H3,(H2,29,30)(H,31,36)
PDB

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n/an/a 159n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359616
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-4-({4-[(4-meth...)
Show SMILES Cc1cnn(Cc2ccc(Cc3ccnc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C28H26N6O/c1-19-15-33-34(17-19)18-21-4-2-20(3-5-21)12-22-8-10-30-26(14-22)28(35)32-16-23-6-7-25-24(13-23)9-11-31-27(25)29/h2-11,13-15,17H,12,16,18H2,1H3,(H2,29,31)(H,32,35)
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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359696
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(piperid...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccnc(c4)N4CCCCC4)c3)ccc12
Show InChI InChI=1S/C27H28N6O/c28-26-24-5-4-20(13-22(24)7-9-31-26)17-32-27(34)23-14-21(16-29-18-23)12-19-6-8-30-25(15-19)33-10-2-1-3-11-33/h4-9,13-16,18H,1-3,10-12,17H2,(H2,28,31)(H,32,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359630
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-1-[(2-methylqu...)
Show SMILES Cc1ccc2cc(Cn3cc(ccc3=O)C(=O)NCc3ccc4c(N)nccc4c3)ccc2n1
Show InChI InChI=1S/C27H23N5O2/c1-17-2-5-21-13-19(4-8-24(21)31-17)15-32-16-22(6-9-25(32)33)27(34)30-14-18-3-7-23-20(12-18)10-11-29-26(23)28/h2-13,16H,14-15H2,1H3,(H2,28,29)(H,30,34)
PDB

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n/an/a 179n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359624
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-6-[(2-methylqu...)
Show SMILES Cc1ccc2cc(Cc3cncc(n3)C(=O)NCc3ccc4c(N)nccc4c3)ccc2n1
Show InChI InChI=1S/C26H22N6O/c1-16-2-5-20-10-17(4-7-23(20)31-16)12-21-14-28-15-24(32-21)26(33)30-13-18-3-6-22-19(11-18)8-9-29-25(22)27/h2-11,14-15H,12-13H2,1H3,(H2,27,29)(H,30,33)
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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359668
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(2-oxopy...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCCC4=O)c3)ccc12
Show InChI InChI=1S/C26H24N6O2/c27-25-22-5-3-18(11-20(22)7-8-29-25)15-31-26(34)21-12-19(13-28-16-21)10-17-4-6-23(30-14-17)32-9-1-2-24(32)33/h3-8,11-14,16H,1-2,9-10,15H2,(H2,27,29)(H,31,34)
PDB

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n/an/a 200n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359615
PNG
(5-({4-[(4-Methylpyrazol-1-yl)methyl]phenyl}methyl)...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3cnc4[nH]ccc4c3)cc2)c1
Show InChI InChI=1S/C26H24N6O/c1-18-11-31-32(16-18)17-20-4-2-19(3-5-20)8-21-9-24(15-27-12-21)26(33)30-14-22-10-23-6-7-28-25(23)29-13-22/h2-7,9-13,15-16H,8,14,17H2,1H3,(H,28,29)(H,30,33)
PDB

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n/an/a 216n/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 US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359706
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(3-metho...)
Show SMILES COC1CCN(C1)c1cc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)ccn1
Show InChI InChI=1S/C27H28N6O2/c1-35-23-6-9-33(17-23)25-13-18(4-7-30-25)10-20-12-22(16-29-14-20)27(34)32-15-19-2-3-24-21(11-19)5-8-31-26(24)28/h2-5,7-8,11-14,16,23H,6,9-10,15,17H2,1H3,(H2,28,31)(H,32,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM359627
PNG
(N-({2,4-Dimethyl-7H-pyrrolo[2,3-b]pyridin-3-yl}met...)
Show SMILES Cc1nc2[nH]ccc(C)c2c1CNC(=O)c1cncc(Cc2ccc3nc(C)ccc3c2)c1
Show InChI InChI=1S/C27H25N5O/c1-16-8-9-29-26-25(16)23(18(3)32-26)15-30-27(33)22-12-20(13-28-14-22)10-19-5-7-24-21(11-19)6-4-17(2)31-24/h4-9,11-14H,10,15H2,1-3H3,(H,29,32)(H,30,33)
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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 ...


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359647
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[3-(pyrazol...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4cccc(Cn5cccn5)c4)c3)ccc12
Show InChI InChI=1S/C27H24N6O/c28-26-25-6-5-20(13-23(25)7-9-30-26)16-31-27(34)24-14-22(15-29-17-24)12-19-3-1-4-21(11-19)18-33-10-2-8-32-33/h1-11,13-15,17H,12,16,18H2,(H2,28,30)(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...


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359672
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(3,3-dif...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCC(F)(F)C4)c3)ccc12
Show InChI InChI=1S/C26H24F2N6O/c27-26(28)6-8-34(16-26)23-4-2-17(13-32-23)9-19-11-21(15-30-12-19)25(35)33-14-18-1-3-22-20(10-18)5-7-31-24(22)29/h1-5,7,10-13,15H,6,8-9,14,16H2,(H2,29,31)(H,33,35)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359694
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(2-oxopy...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccnc(c4)N4CCCC4=O)c3)ccc12
Show InChI InChI=1S/C26H24N6O2/c27-25-22-4-3-18(11-20(22)6-8-30-25)15-31-26(34)21-12-19(14-28-16-21)10-17-5-7-29-23(13-17)32-9-1-2-24(32)33/h3-8,11-14,16H,1-2,9-10,15H2,(H2,27,30)(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...


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359626
PNG
(N-({2,4-Dimethyl-7H-pyrrolo[2,3-b]pyridin-3-yl}met...)
Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3c(C)nc4[nH]ccc(C)c34)cc2)c1
Show InChI InChI=1S/C28H28N6O/c1-18-12-32-34(16-18)17-22-6-4-21(5-7-22)10-23-11-24(14-29-13-23)28(35)31-15-25-20(3)33-27-26(25)19(2)8-9-30-27/h4-9,11-14,16H,10,15,17H2,1-3H3,(H,30,33)(H,31,35)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359677
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(3-metho...)
Show SMILES COC1CCN(C1)c1ccc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)cn1
Show InChI InChI=1S/C27H28N6O2/c1-35-23-7-9-33(17-23)25-5-3-18(14-31-25)10-20-12-22(16-29-13-20)27(34)32-15-19-2-4-24-21(11-19)6-8-30-26(24)28/h2-6,8,11-14,16,23H,7,9-10,15,17H2,1H3,(H2,28,30)(H,32,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359645
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[3-(pyrazol...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4cccc(c4)-n4cccn4)c3)ccc12
Show InChI InChI=1S/C26H22N6O/c27-25-24-6-5-19(12-21(24)7-9-29-25)16-30-26(33)22-13-20(15-28-17-22)11-18-3-1-4-23(14-18)32-10-2-8-31-32/h1-10,12-15,17H,11,16H2,(H2,27,29)(H,30,33)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359687
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-({6-[3-(hydr...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCC(CO)C4)c3)ccc12
Show InChI InChI=1S/C27H28N6O2/c28-26-24-3-1-19(10-22(24)5-7-30-26)14-32-27(35)23-11-21(12-29-15-23)9-18-2-4-25(31-13-18)33-8-6-20(16-33)17-34/h1-5,7,10-13,15,20,34H,6,8-9,14,16-17H2,(H2,28,30)(H,32,35)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359671
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[6-(piperid...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccc(nc4)N4CCCCC4)c3)ccc12
Show InChI InChI=1S/C27H28N6O/c28-26-24-6-4-20(13-22(24)8-9-30-26)17-32-27(34)23-14-21(15-29-18-23)12-19-5-7-25(31-16-19)33-10-2-1-3-11-33/h4-9,13-16,18H,1-3,10-12,17H2,(H2,28,30)(H,32,34)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359710
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-({2-[3-(hydr...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cncc(Cc4ccnc(c4)N4CCC(CO)C4)c3)ccc12
Show InChI InChI=1S/C27H28N6O2/c28-26-24-2-1-19(10-22(24)4-7-31-26)14-32-27(35)23-11-21(13-29-15-23)9-18-3-6-30-25(12-18)33-8-5-20(16-33)17-34/h1-4,6-7,10-13,15,20,34H,5,8-9,14,16-17H2,(H2,28,31)(H,32,35)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM359705
PNG
(N-[(1-Aminoisoquinolin-6-yl)methyl]-5-{[2-(diethyl...)
Show SMILES CCN(CC)c1cc(Cc2cncc(c2)C(=O)NCc2ccc3c(N)nccc3c2)ccn1
Show InChI InChI=1S/C26H28N6O/c1-3-32(4-2)24-14-18(7-9-29-24)11-20-13-22(17-28-15-20)26(33)31-16-19-5-6-23-21(12-19)8-10-30-25(23)27/h5-10,12-15,17H,3-4,11,16H2,1-2H3,(H2,27,30)(H,31,33)
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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US10221161 (2019)


BindingDB Entry DOI: 10.7270/Q23B62DG
More data for this
Ligand-Target Pair
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