BindingDB logo
myBDB logout

Patent code US9533987

Compile Data Set for Download or QSAR

Found 230 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


(Homo sapiens (Human))
BDBM263238
PNG
(5-amino-1-(4-pyrazol-1-ylmethyl-benzyl)-1h-pyrazol...)
Show SMILES Nc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C25H24N8O/c26-23-21-7-6-19(12-20(21)8-10-28-23)13-29-25(34)22-16-33(31-24(22)27)15-18-4-2-17(3-5-18)14-32-11-1-9-30-32/h1-12,16H,13-15H2,(H2,26,28)(H2,27,31)(H,29,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.330n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263258
PNG
(3-amino-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(N)n3)cc2)c1
Show InChI InChI=1S/C26H26N8O/c1-17-11-31-33(13-17)14-18-2-4-19(5-3-18)15-34-16-23(25(28)32-34)26(35)30-12-20-6-7-22-21(10-20)8-9-29-24(22)27/h2-11,13,16H,12,14-15H2,1H3,(H2,27,29)(H2,28,32)(H,30,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.670n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263231
PNG
(3-cyano-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C#N)cc2)c1
Show InChI InChI=1S/C27H24N8O/c1-18-12-32-34(14-18)15-19-2-4-20(5-3-19)16-35-17-24(25(11-28)33-35)27(36)31-13-21-6-7-23-22(10-21)8-9-30-26(23)29/h2-10,12,14,17H,13,15-16H2,1H3,(H2,29,30)(H,31,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.740n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263235
PNG
(3-(3,5-dimethyl-isoxazol-4-yl)-1-[4-(4-methyl-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3c(C)noc3C)cc2)c1
Show InChI InChI=1S/C31H30N8O2/c1-19-13-35-38(15-19)16-22-4-6-23(7-5-22)17-39-18-27(29(36-39)28-20(2)37-41-21(28)3)31(40)34-14-24-8-9-26-25(12-24)10-11-33-30(26)32/h4-13,15,18H,14,16-17H2,1-3H3,(H2,32,33)(H,34,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.890n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263298
PNG
(1-(4-pyrazol-1-ylmethyl-benzyl)-3-trifluoromethyl-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cccn5)cc4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C26H22F3N7O/c27-26(28,29)23-22(25(37)32-13-19-6-7-21-20(12-19)8-10-31-24(21)30)16-36(34-23)15-18-4-2-17(3-5-18)14-35-11-1-9-33-35/h1-12,16H,13-15H2,(H2,30,31)(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.920n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263229
PNG
(3-hydroxymethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(CO)n3)cc2)c1
Show InChI InChI=1S/C27H27N7O2/c1-18-11-31-33(13-18)14-19-2-4-20(5-3-19)15-34-16-24(25(17-35)32-34)27(36)30-12-21-6-7-23-22(10-21)8-9-29-26(23)28/h2-11,13,16,35H,12,14-15,17H2,1H3,(H2,28,29)(H,30,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.17n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263259
PNG
(3-methoxymethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)...)
Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C28H29N7O2/c1-19-12-32-34(14-19)15-20-3-5-21(6-4-20)16-35-17-25(26(33-35)18-37-2)28(36)31-13-22-7-8-24-23(11-22)9-10-30-27(24)29/h3-12,14,17H,13,15-16,18H2,1-2H3,(H2,29,30)(H,31,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.27n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263261
PNG
(3-difluoromethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C(F)F)cc2)c1
Show InChI InChI=1S/C27H25F2N7O/c1-17-11-33-35(13-17)14-18-2-4-19(5-3-18)15-36-16-23(24(34-36)25(28)29)27(37)32-12-20-6-7-22-21(10-20)8-9-31-26(22)30/h2-11,13,16,25H,12,14-15H2,1H3,(H2,30,31)(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.68n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263221
PNG
(3-methyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(C)n3)cc2)c1
Show InChI InChI=1S/C27H27N7O/c1-18-12-31-33(14-18)15-20-3-5-21(6-4-20)16-34-17-25(19(2)32-34)27(35)30-13-22-7-8-24-23(11-22)9-10-29-26(24)28/h3-12,14,17H,13,15-16H2,1-2H3,(H2,28,29)(H,30,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.89n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263248
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C26H25N7O/c1-18-11-30-32(14-18)15-19-2-4-20(5-3-19)16-33-17-23(13-31-33)26(34)29-12-21-6-7-24-22(10-21)8-9-28-25(24)27/h2-11,13-14,17H,12,15-16H2,1H3,(H2,27,28)(H,29,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263224
PNG
(3-isopropyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-ben...)
Show SMILES CC(C)c1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C29H31N7O/c1-19(2)27-26(29(37)32-14-23-8-9-25-24(12-23)10-11-31-28(25)30)18-36(34-27)17-22-6-4-21(5-7-22)16-35-15-20(3)13-33-35/h4-13,15,18-19H,14,16-17H2,1-3H3,(H2,30,31)(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2.14n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263342
PNG
(1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1n[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C26H20ClF3N6O2/c27-18-8-9-21-19(11-18)22(33-32-21)12-31-25(38)20-15-36(34-24(20)26(28,29)30)14-17-6-4-16(5-7-17)13-35-10-2-1-3-23(35)37/h1-11,15H,12-14H2,(H,31,38)(H,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2.14n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263253
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C27H24F3N7O/c1-17-11-34-36(13-17)14-18-2-4-19(5-3-18)15-37-16-23(24(35-37)27(28,29)30)26(38)33-12-20-6-7-22-21(10-20)8-9-32-25(22)31/h2-11,13,16H,12,14-15H2,1H3,(H2,31,32)(H,33,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2.16n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263301
PNG
(1-(6-pyrazol-1-ylmethyl-pyridin-3-ylmethyl)-3-trif...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cccn5)nc4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H21F3N8O/c26-25(27,28)22-21(24(37)32-11-16-3-5-20-18(10-16)6-8-30-23(20)29)15-36(34-22)13-17-2-4-19(31-12-17)14-35-9-1-7-33-35/h1-10,12,15H,11,13-14H2,(H2,29,30)(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2.29n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


Citation and Details
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
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...


Citation and Details
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
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...


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


(Homo sapiens (Human))
BDBM263223
PNG
(3-cyclopropyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-b...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C3CC3)cc2)c1
Show InChI InChI=1S/C29H29N7O/c1-19-13-33-35(15-19)16-20-2-4-21(5-3-20)17-36-18-26(27(34-36)23-7-8-23)29(37)32-14-22-6-9-25-24(12-22)10-11-31-28(25)30/h2-6,9-13,15,18,23H,7-8,14,16-17H2,1H3,(H2,30,31)(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2.58n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263250
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-[1,2...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1
Show InChI InChI=1S/C25H24N8O/c1-17-11-29-32(13-17)14-18-2-4-19(5-3-18)15-33-16-23(30-31-33)25(34)28-12-20-6-7-22-21(10-20)8-9-27-24(22)26/h2-11,13,16H,12,14-15H2,1H3,(H2,26,27)(H,28,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2.80n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263252
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-pheny...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3ccccc3)cc2)c1
Show InChI InChI=1S/C32H29N7O/c1-22-16-36-38(18-22)19-23-7-9-24(10-8-23)20-39-21-29(30(37-39)26-5-3-2-4-6-26)32(40)35-17-25-11-12-28-27(15-25)13-14-34-31(28)33/h2-16,18,21H,17,19-20H2,1H3,(H2,33,34)(H,35,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 3.68n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263213
PNG
(1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES Cc1nc2[nH]ccc2c(C)c1CNC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1C(F)(F)F
Show InChI InChI=1S/C28H25F3N6O2/c1-17-21-10-11-32-26(21)34-18(2)22(17)13-33-27(39)23-16-37(35-25(23)28(29,30)31)15-20-8-6-19(7-9-20)14-36-12-4-3-5-24(36)38/h3-12,16H,13-15H2,1-2H3,(H,32,34)(H,33,39)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 3.72n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263263
PNG
(2,5-dimethyl-1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-be...)
Show SMILES Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
Show InChI InChI=1S/C30H29N5O2/c1-20-15-27(30(37)33-17-24-10-11-26-25(16-24)12-13-32-29(26)31)21(2)35(20)19-23-8-6-22(7-9-23)18-34-14-4-3-5-28(34)36/h3-16H,17-19H2,1-2H3,(H2,31,32)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


Citation and Details
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
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...


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


(Homo sapiens (Human))
BDBM263228
PNG
(3-cyclobutyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-be...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C3CCC3)cc2)c1
Show InChI InChI=1S/C30H31N7O/c1-20-14-34-36(16-20)17-21-5-7-22(8-6-21)18-37-19-27(28(35-37)24-3-2-4-24)30(38)33-15-23-9-10-26-25(13-23)11-12-32-29(26)31/h5-14,16,19,24H,2-4,15,17-18H2,1H3,(H2,31,32)(H,33,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 4.62n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 4.85n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM261344
PNG
(1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cnc2[nH]ccc2c1
Show InChI InChI=1S/C26H21F3N6O2/c27-26(28,29)23-21(25(37)32-13-19-11-20-8-9-30-24(20)31-12-19)16-35(33-23)15-18-6-4-17(5-7-18)14-34-10-2-1-3-22(34)36/h1-12,16H,13-15H2,(H,30,31)(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 5.38n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 5.84n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 6.46n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263240
PNG
(3-cyclopropyl-1-(5-methoxy-6-pyrrolidin-1-yl-pyrid...)
Show SMILES COc1cc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C2CC2)cnc1N1CCCC1
Show InChI InChI=1S/C28H31N7O2/c1-37-24-13-19(15-31-27(24)34-10-2-3-11-34)16-35-17-23(25(33-35)20-5-6-20)28(36)32-14-18-4-7-22-21(12-18)8-9-30-26(22)29/h4,7-9,12-13,15,17,20H,2-3,5-6,10-11,14,16H2,1H3,(H2,29,30)(H,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 7.31n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 9.61n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263239
PNG
(1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CCCC4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H24F3N7O/c26-25(27,28)22-20(24(36)32-12-16-3-5-19-18(11-16)7-8-30-23(19)29)15-35(33-22)14-17-4-6-21(31-13-17)34-9-1-2-10-34/h3-8,11,13,15H,1-2,9-10,12,14H2,(H2,29,30)(H,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 9.66n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263286
PNG
(1-(2-pyrrolidin-1-yl-pyrimidin-5-ylmethyl)-3-trifl...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cnc(nc4)N4CCCC4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C24H23F3N8O/c25-24(26,27)20-19(22(36)30-10-15-3-4-18-17(9-15)5-6-29-21(18)28)14-35(33-20)13-16-11-31-23(32-12-16)34-7-1-2-8-34/h3-6,9,11-12,14H,1-2,7-8,10,13H2,(H2,28,29)(H,30,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 10.4n/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...


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


(Homo sapiens (Human))
BDBM263309
PNG
(3-cyclopropyl-1-(6-pyrrolidin-1-yl-pyridin-3-ylmet...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CCCC4)nc3C3CC3)ccc12
Show InChI InChI=1S/C27H29N7O/c28-26-22-7-3-18(13-21(22)9-10-29-26)14-31-27(35)23-17-34(32-25(23)20-5-6-20)16-19-4-8-24(30-15-19)33-11-1-2-12-33/h3-4,7-10,13,15,17,20H,1-2,5-6,11-12,14,16H2,(H2,28,29)(H,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 11.6n/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...


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


(Homo sapiens (Human))
BDBM263285
PNG
(1-[6-((r)-2-methyl-pyrrolidin-1-yl)-pyridin-3-ylme...)
Show SMILES C[C@@H]1CCCN1c1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C26H26F3N7O/c1-16-3-2-10-36(16)22-7-5-18(13-32-22)14-35-15-21(23(34-35)26(27,28)29)25(37)33-12-17-4-6-20-19(11-17)8-9-31-24(20)30/h4-9,11,13,15-16H,2-3,10,12,14H2,1H3,(H2,30,31)(H,33,37)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 12.3n/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...


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


(Homo sapiens (Human))
BDBM263280
PNG
(1-[6-((r)-3-methyl-pyrrolidin-1-yl)-pyridin-3-ylme...)
Show SMILES C[C@@H]1CCN(C1)c1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C26H26F3N7O/c1-16-7-9-35(13-16)22-5-3-18(12-32-22)14-36-15-21(23(34-36)26(27,28)29)25(37)33-11-17-2-4-20-19(10-17)6-8-31-24(20)30/h2-6,8,10,12,15-16H,7,9,11,13-14H2,1H3,(H2,30,31)(H,33,37)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 13.3n/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...


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


(Homo sapiens (Human))
BDBM263326
PNG
(3-amino-1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]...)
Show SMILES Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc2[nH]ncc12
Show InChI InChI=1S/C25H23N7O2/c26-24-21(25(34)27-12-19-4-3-5-22-20(19)13-28-29-22)16-32(30-24)15-18-9-7-17(8-10-18)14-31-11-2-1-6-23(31)33/h1-11,13,16H,12,14-15H2,(H2,26,30)(H,27,34)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 13.3n/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...


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


(Homo sapiens (Human))
BDBM263284
PNG
(1-[6-((s)-2-methyl-pyrrolidin-1-yl)-pyridin-3-ylme...)
Show SMILES C[C@H]1CCCN1c1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C26H26F3N7O/c1-16-3-2-10-36(16)22-7-5-18(13-32-22)14-35-15-21(23(34-35)26(27,28)29)25(37)33-12-17-4-6-20-19(11-17)8-9-31-24(20)30/h4-9,11,13,15-16H,2-3,10,12,14H2,1H3,(H2,30,31)(H,33,37)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 13.6n/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...


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


(Homo sapiens (Human))
BDBM263310
PNG
(3-cyclopropyl-1-(4-[1,2,3]triazol-1-ylmethyl-benzy...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5ccnn5)cc4)nc3C3CC3)ccc12
Show InChI InChI=1S/C27H26N8O/c28-26-23-8-5-20(13-22(23)9-10-29-26)14-30-27(36)24-17-35(32-25(24)21-6-7-21)16-19-3-1-18(2-4-19)15-34-12-11-31-33-34/h1-5,8-13,17,21H,6-7,14-16H2,(H2,28,29)(H,30,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 13.8n/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...


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


(Homo sapiens (Human))
BDBM263331
PNG
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)nc4[nH]ccc4c3C)cc2)c1
Show InChI InChI=1S/C26H27N7O/c1-17-10-29-32(13-17)14-20-4-6-21(7-5-20)15-33-16-22(11-30-33)26(34)28-12-24-18(2)23-8-9-27-25(23)31-19(24)3/h4-11,13,16H,12,14-15H2,1-3H3,(H,27,31)(H,28,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263214
PNG
(2,5-dimethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-be...)
Show SMILES Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc5c(N)nccc5c4)c3C)cc2)c1
Show InChI InChI=1S/C29H30N6O/c1-19-14-33-34(16-19)17-22-4-6-23(7-5-22)18-35-20(2)12-27(21(35)3)29(36)32-15-24-8-9-26-25(13-24)10-11-31-28(26)30/h4-14,16H,15,17-18H2,1-3H3,(H2,30,31)(H,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 14.3n/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...


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


(Homo sapiens (Human))
BDBM263287
PNG
(1-(5-pyrrolidin-1-yl-pyrazin-2-ylmethyl)-3-trifluo...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cnc(cn4)N4CCCC4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C24H23F3N8O/c25-24(26,27)21-19(23(36)32-10-15-3-4-18-16(9-15)5-6-29-22(18)28)14-35(33-21)13-17-11-31-20(12-30-17)34-7-1-2-8-34/h3-6,9,11-12,14H,1-2,7-8,10,13H2,(H2,28,29)(H,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 14.9n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263279
PNG
(1-[6-(3,3-difluoro-pyrrolidin-1-yl)-pyridin-3-ylme...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CCC(F)(F)C4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H22F5N7O/c26-24(27)6-8-36(14-24)20-4-2-16(11-33-20)12-37-13-19(21(35-37)25(28,29)30)23(38)34-10-15-1-3-18-17(9-15)5-7-32-22(18)31/h1-5,7,9,11,13H,6,8,10,12,14H2,(H2,31,32)(H,34,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 14.9n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263275
PNG
(5-amino-1-(4-pyrazol-1-ylmethyl-benzyl)-1h-pyrazol...)
Show SMILES Nc1c(cnn1Cc1ccc(Cn2cccn2)cc1)C(=O)NCc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C25H24N8O/c26-23-21-7-6-19(12-20(21)8-10-28-23)13-29-25(34)22-14-31-33(24(22)27)16-18-4-2-17(3-5-18)15-32-11-1-9-30-32/h1-12,14H,13,15-16,27H2,(H2,26,28)(H,29,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 16.8n/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...


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


(Homo sapiens (Human))
BDBM263308
PNG
(3-cyclopropyl-1-(4-methoxy-6-pyrrolidin-1-yl-pyrid...)
Show SMILES COc1cc(ncc1Cn1cc(C(=O)NCc2ccc3c(N)nccc3c2)c(n1)C1CC1)N1CCCC1
Show InChI InChI=1S/C28H31N7O2/c1-37-24-13-25(34-10-2-3-11-34)31-15-21(24)16-35-17-23(26(33-35)19-5-6-19)28(36)32-14-18-4-7-22-20(12-18)8-9-30-27(22)29/h4,7-9,12-13,15,17,19H,2-3,5-6,10-11,14,16H2,1H3,(H2,29,30)(H,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 17.8n/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...


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


(Homo sapiens (Human))
BDBM263283
PNG
(1-[6-((r)-3-fluoro-pyrrolidin-1-yl)-pyridin-3-ylme...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CC[C@@H](F)C4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H23F4N7O/c26-18-6-8-35(13-18)21-4-2-16(11-32-21)12-36-14-20(22(34-36)25(27,28)29)24(37)33-10-15-1-3-19-17(9-15)5-7-31-23(19)30/h1-5,7,9,11,14,18H,6,8,10,12-13H2,(H2,30,31)(H,33,37)/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 18.1n/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...


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


(Homo sapiens (Human))
BDBM263315
PNG
(1-(5-chloro-6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cnc(N5CCCC5)c(Cl)c4)nc3C3CC3)ccc12
Show InChI InChI=1S/C27H28ClN7O/c28-23-12-18(14-31-26(23)34-9-1-2-10-34)15-35-16-22(24(33-35)19-4-5-19)27(36)32-13-17-3-6-21-20(11-17)7-8-30-25(21)29/h3,6-8,11-12,14,16,19H,1-2,4-5,9-10,13,15H2,(H2,29,30)(H,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 18.5n/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...


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


(Homo sapiens (Human))
BDBM263304
PNG
(1-[2-(4-methyl-pyrazol-1-ylmethyl)-thiazol-4-ylmet...)
Show SMILES Cc1cnn(Cc2nc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C(F)(F)F)cs2)c1
Show InChI InChI=1S/C24H21F3N8OS/c1-14-7-31-34(9-14)12-20-32-17(13-37-20)10-35-11-19(21(33-35)24(25,26)27)23(36)30-8-15-2-3-18-16(6-15)4-5-29-22(18)28/h2-7,9,11,13H,8,10,12H2,1H3,(H2,28,29)(H,30,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 21.2n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263295
PNG
(1-(5-fluoro-6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cnc(N5CCCC5)c(F)c4)nc3C(F)(F)F)ccc12
Show InChI InChI=1S/C25H23F4N7O/c26-20-10-16(12-32-23(20)35-7-1-2-8-35)13-36-14-19(21(34-36)25(27,28)29)24(37)33-11-15-3-4-18-17(9-15)5-6-31-22(18)30/h3-6,9-10,12,14H,1-2,7-8,11,13H2,(H2,30,31)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 22.6n/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...


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


(Homo sapiens (Human))
BDBM263339
PNG
(1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc2[nH]ncc12
Show InChI InChI=1S/C26H21F3N6O2/c27-26(28,29)24-21(25(37)30-12-19-4-3-5-22-20(19)13-31-32-22)16-35(33-24)15-18-9-7-17(8-10-18)14-34-11-2-1-6-23(34)36/h1-11,13,16H,12,14-15H2,(H,30,37)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 22.9n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263306
PNG
(3-cyclopropyl-1-[6-(3,3-difluoro-pyrrolidin-1-yl)-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CCC(F)(F)C4)nc3C3CC3)ccc12
Show InChI InChI=1S/C27H27F2N7O/c28-27(29)8-10-35(16-27)23-6-2-18(13-32-23)14-36-15-22(24(34-36)19-3-4-19)26(37)33-12-17-1-5-21-20(11-17)7-9-31-25(21)30/h1-2,5-7,9,11,13,15,19H,3-4,8,10,12,14,16H2,(H2,30,31)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 23.2n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


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


(Homo sapiens (Human))
BDBM263341
PNG
(1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)ONC(=O)c1n[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C23H19ClF3N7O3/c24-14-4-5-17-15(9-14)19(30-29-17)21(35)32-37-22(36)16-12-34(31-20(16)23(25,26)27)11-13-3-6-18(28-10-13)33-7-1-2-8-33/h3-6,9-10,12H,1-2,7-8,11H2,(H,29,30)(H,32,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 24.9n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 230 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%