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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 449.5
BDBM50004604
Wt: 451.5
BDBM263215
Wt: 439.5
BDBM263237
Wt: 417.4
BDBM263316
Wt: 442.5
BDBM263317
Wt: 442.4
BDBM263319
Wt: 424.4
BDBM263320
Wt: 423.4
BDBM263321
Wt: 426.4
BDBM263328
Wt: 440.5
BDBM263329
Wt: 425.4
BDBM263330
Wt: 429.4
BDBM263264
Wt: 450.4
BDBM263266
Wt: 450.4
BDBM263268
Wt: 440.5
BDBM230010
Displayed 1 to 15 (of 158 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 31 hits in this display   
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
Kallikrein 1


(Sus scrofa)
BDBM50004604
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C20H31N7O5/c1-12(29)25-15(10-13-6-3-2-4-7-13)19(32)26-14(8-5-9-24-20(22)23)18(31)27-16(11-28)17(21)30/h2-4,6-7,14-16,28H,5,8-11H2,1H3,(H2,21,30)(H,25,29)(H,26,32)(H,27,31)(H4,22,23,24)/t14-,15-,16-/m0/s1
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Article
PubMed
7.18E+5n/an/an/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-kallikrein


J Med Chem 35: 3094-102 (1992)


Article DOI: 10.1021/jm00095a002
BindingDB Entry DOI: 10.7270/Q23R0RVF
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)
PDB

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US Patent
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))
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))
BDBM263316
PNG
(3-amino-1-(6-ethoxy-pyridin-3-ylmethyl)-1h-pyrazol...)
Show SMILES CCOc1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(N)n2)cn1
Show InChI InChI=1S/C22H23N7O2/c1-2-31-19-6-4-15(11-26-19)12-29-13-18(21(24)28-29)22(30)27-10-14-3-5-17-16(9-14)7-8-25-20(17)23/h3-9,11,13H,2,10,12H2,1H3,(H2,23,25)(H2,24,28)(H,27,30)
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n/an/a 62.4n/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 US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263330
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3cnc4[nH]ccc4c3)cc2)c1
Show InChI InChI=1S/C24H23N7O/c1-17-9-28-30(13-17)14-18-2-4-19(5-3-18)15-31-16-22(12-29-31)24(32)27-11-20-8-21-6-7-25-23(21)26-10-20/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,26)(H,27,32)
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n/an/a 78n/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))
BDBM263237
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3cc4cc[nH]c4nc3C)cc2)c1
Show InChI InChI=1S/C25H25N7O/c1-17-10-28-31(13-17)14-19-3-5-20(6-4-19)15-32-16-23(12-29-32)25(33)27-11-22-9-21-7-8-26-24(21)30-18(22)2/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,26,30)(H,27,33)
PDB

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n/an/a 132n/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))
BDBM263328
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-[1,2...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3cnc4[nH]ccc4c3)cc2)c1
Show InChI InChI=1S/C23H22N8O/c1-16-9-27-30(12-16)13-17-2-4-18(5-3-17)14-31-15-21(28-29-31)23(32)26-11-19-8-20-6-7-24-22(20)25-10-19/h2-10,12,15H,11,13-14H2,1H3,(H,24,25)(H,26,32)
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n/an/a 177n/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))
BDBM263268
PNG
(1-[4-(pyridin-2-yloxy)-benzyl]-1h-pyrazole-4-carbo...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cnn(Cc4ccc(Oc5ccccn5)cc4)c3)ccc12
Show InChI InChI=1S/C26H22N6O2/c27-25-23-9-6-19(13-20(23)10-12-29-25)14-30-26(33)21-15-31-32(17-21)16-18-4-7-22(8-5-18)34-24-3-1-2-11-28-24/h1-13,15,17H,14,16H2,(H2,27,29)(H,30,33)
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n/an/a 186n/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))
BDBM263329
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-[1,2...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3cc4cc[nH]c4nc3C)cc2)c1
Show InChI InChI=1S/C24H24N8O/c1-16-10-27-31(12-16)13-18-3-5-19(6-4-18)14-32-15-22(29-30-32)24(33)26-11-21-9-20-7-8-25-23(20)28-17(21)2/h3-10,12,15H,11,13-14H2,1-2H3,(H,25,28)(H,26,33)
PDB

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n/an/a 507n/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))
BDBM263266
PNG
(1-(6-phenoxy-pyridin-2-ylmethyl)-1h-pyrazole-4-car...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cnn(Cc4cccc(Oc5ccccc5)n4)c3)ccc12
Show InChI InChI=1S/C26H22N6O2/c27-25-23-10-9-18(13-19(23)11-12-28-25)14-29-26(33)20-15-30-32(16-20)17-21-5-4-8-24(31-21)34-22-6-2-1-3-7-22/h1-13,15-16H,14,17H2,(H2,27,28)(H,29,33)
PDB

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n/an/a 2.03E+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 US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263320
PNG
(1-[4-(pyridin-2-yloxy)-benzyl]-1h-pyrazole-4-carbo...)
Show SMILES O=C(NCc1cnc2[nH]ccc2c1)c1cnn(Cc2ccc(Oc3ccccn3)cc2)c1
Show InChI InChI=1S/C24H20N6O2/c31-24(28-13-18-11-19-8-10-26-23(19)27-12-18)20-14-29-30(16-20)15-17-4-6-21(7-5-17)32-22-3-1-2-9-25-22/h1-12,14,16H,13,15H2,(H,26,27)(H,28,31)
PDB

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n/an/a 2.30E+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 US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM230010
PNG
(2,5-dimethyl-1-(2-phenyl-thiazol-4-ylmethyl)-1h-py...)
Show SMILES Cc1cc(C(=O)NCc2ccc3[nH]ccc3c2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C26H24N4OS/c1-17-12-23(25(31)28-14-19-8-9-24-21(13-19)10-11-27-24)18(2)30(17)15-22-16-32-26(29-22)20-6-4-3-5-7-20/h3-13,16,27H,14-15H2,1-2H3,(H,28,31)
PDB

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n/an/a 2.69E+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 US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263264
PNG
(1-[2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethyl]-1h...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cnn(CCc4ccc5OCCOc5c4)c3)ccc12
Show InChI InChI=1S/C24H23N5O3/c25-23-20-3-1-17(11-18(20)5-7-26-23)13-27-24(30)19-14-28-29(15-19)8-6-16-2-4-21-22(12-16)32-10-9-31-21/h1-5,7,11-12,14-15H,6,8-10,13H2,(H2,25,26)(H,27,30)
PDB

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n/an/a 3.06E+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 US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263316
PNG
(3-amino-1-(6-ethoxy-pyridin-3-ylmethyl)-1h-pyrazol...)
Show SMILES CCOc1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(N)n2)cn1
Show InChI InChI=1S/C22H23N7O2/c1-2-31-19-6-4-15(11-26-19)12-29-13-18(21(24)28-29)22(30)27-10-14-3-5-17-16(9-14)7-8-25-20(17)23/h3-9,11,13H,2,10,12H2,1H3,(H2,23,25)(H2,24,28)(H,27,30)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(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)
PDB

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n/an/a 3.46E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263268
PNG
(1-[4-(pyridin-2-yloxy)-benzyl]-1h-pyrazole-4-carbo...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cnn(Cc4ccc(Oc5ccccn5)cc4)c3)ccc12
Show InChI InChI=1S/C26H22N6O2/c27-25-23-9-6-19(13-20(23)10-12-29-25)14-30-26(33)21-15-31-32(17-21)16-18-4-7-22(8-5-18)34-24-3-1-2-11-28-24/h1-13,15,17H,14,16H2,(H2,27,29)(H,30,33)
PDB

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n/an/a 8.09E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(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)
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263237
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3cc4cc[nH]c4nc3C)cc2)c1
Show InChI InChI=1S/C25H25N7O/c1-17-10-28-31(13-17)14-19-3-5-20(6-4-19)15-32-16-23(12-29-32)25(33)27-11-22-9-21-7-8-26-24(21)30-18(22)2/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,26,30)(H,27,33)
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(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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UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM230010
PNG
(2,5-dimethyl-1-(2-phenyl-thiazol-4-ylmethyl)-1h-py...)
Show SMILES Cc1cc(C(=O)NCc2ccc3[nH]ccc3c2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C26H24N4OS/c1-17-12-23(25(31)28-14-19-8-9-24-21(13-19)10-11-27-24)18(2)30(17)15-22-16-32-26(29-22)20-6-4-3-5-7-20/h3-13,16,27H,14-15H2,1-2H3,(H,28,31)
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263330
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3cnc4[nH]ccc4c3)cc2)c1
Show InChI InChI=1S/C24H23N7O/c1-17-9-28-30(13-17)14-18-2-4-19(5-3-18)15-31-16-22(12-29-31)24(32)27-11-20-8-21-6-7-25-23(21)26-10-20/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,26)(H,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263329
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-[1,2...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3cc4cc[nH]c4nc3C)cc2)c1
Show InChI InChI=1S/C24H24N8O/c1-16-10-27-31(12-16)13-18-3-5-19(6-4-18)14-32-15-22(29-30-32)24(33)26-11-21-9-20-7-8-25-23(20)28-17(21)2/h3-10,12,15H,11,13-14H2,1-2H3,(H,25,28)(H,26,33)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263328
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-[1,2...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3cnc4[nH]ccc4c3)cc2)c1
Show InChI InChI=1S/C23H22N8O/c1-16-9-27-30(12-16)13-17-2-4-18(5-3-17)14-31-15-21(28-29-31)23(32)26-11-19-8-20-6-7-24-22(20)25-10-19/h2-10,12,15H,11,13-14H2,1H3,(H,24,25)(H,26,32)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263319
PNG
(1-[3-(3-fluoro-pyridin-2-yloxy)-benzyl]-1h-pyrazol...)
Show SMILES Fc1cccnc1Oc1cccc(Cn2cc(cn2)C(=O)NCc2cnc3[nH]ccc3c2)c1
Show InChI InChI=1S/C24H19FN6O2/c25-21-5-2-7-27-24(21)33-20-4-1-3-16(10-20)14-31-15-19(13-30-31)23(32)29-12-17-9-18-6-8-26-22(18)28-11-17/h1-11,13,15H,12,14H2,(H,26,28)(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...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263266
PNG
(1-(6-phenoxy-pyridin-2-ylmethyl)-1h-pyrazole-4-car...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cnn(Cc4cccc(Oc5ccccc5)n4)c3)ccc12
Show InChI InChI=1S/C26H22N6O2/c27-25-23-10-9-18(13-19(23)11-12-28-25)14-29-26(33)20-15-30-32(16-20)17-21-5-4-8-24(31-21)34-22-6-2-1-3-7-22/h1-13,15-16H,14,17H2,(H2,27,28)(H,29,33)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263264
PNG
(1-[2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethyl]-1h...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cnn(CCc4ccc5OCCOc5c4)c3)ccc12
Show InChI InChI=1S/C24H23N5O3/c25-23-20-3-1-17(11-18(20)5-7-26-23)13-27-24(30)19-14-28-29(15-19)8-6-16-2-4-21-22(12-16)32-10-9-31-21/h1-5,7,11-12,14-15H,6,8-10,13H2,(H2,25,26)(H,27,30)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263321
PNG
(1-(3-phenoxy-benzyl)-1h-pyrazole-4-carboxylic acid...)
Show SMILES O=C(NCc1cnc2[nH]ccc2c1)c1cnn(Cc2cccc(Oc3ccccc3)c2)c1
Show InChI InChI=1S/C25H21N5O2/c31-25(28-14-19-11-20-9-10-26-24(20)27-13-19)21-15-29-30(17-21)16-18-5-4-8-23(12-18)32-22-6-2-1-3-7-22/h1-13,15,17H,14,16H2,(H,26,27)(H,28,31)
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US Patent
n/an/a 2.06E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263321
PNG
(1-(3-phenoxy-benzyl)-1h-pyrazole-4-carboxylic acid...)
Show SMILES O=C(NCc1cnc2[nH]ccc2c1)c1cnn(Cc2cccc(Oc3ccccc3)c2)c1
Show InChI InChI=1S/C25H21N5O2/c31-25(28-14-19-11-20-9-10-26-24(20)27-13-19)21-15-29-30(17-21)16-18-5-4-8-23(12-18)32-22-6-2-1-3-7-22/h1-13,15,17H,14,16H2,(H,26,27)(H,28,31)
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US Patent
n/an/a 2.20E+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 US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263320
PNG
(1-[4-(pyridin-2-yloxy)-benzyl]-1h-pyrazole-4-carbo...)
Show SMILES O=C(NCc1cnc2[nH]ccc2c1)c1cnn(Cc2ccc(Oc3ccccn3)cc2)c1
Show InChI InChI=1S/C24H20N6O2/c31-24(28-13-18-11-19-8-10-26-23(19)27-12-18)20-14-29-30(16-20)15-17-4-6-21(7-5-17)32-22-3-1-2-9-25-22/h1-12,14,16H,13,15H2,(H,26,27)(H,28,31)
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n/an/a 3.81E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263319
PNG
(1-[3-(3-fluoro-pyridin-2-yloxy)-benzyl]-1h-pyrazol...)
Show SMILES Fc1cccnc1Oc1cccc(Cn2cc(cn2)C(=O)NCc2cnc3[nH]ccc3c2)c1
Show InChI InChI=1S/C24H19FN6O2/c25-21-5-2-7-27-24(21)33-20-4-1-3-16(10-20)14-31-15-19(13-30-31)23(32)29-12-17-9-18-6-8-26-22(18)28-11-17/h1-11,13,15H,12,14H2,(H,26,28)(H,29,32)
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)

More data for this
Ligand-Target Pair