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Compile Data Set for Download or QSAR

Found 526 hits of ic50 for UniProtKB: P06870   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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n/an/a 97n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


Article DOI: 10.1021/jm00014a003
BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200014
PNG
(US9234000, 5)
Show SMILES CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C28H34N4O3/c1-2-35-24-14-12-21(13-15-24)16-25(30)27(33)32-26(17-20-6-4-3-5-7-20)28(34)31-19-23-10-8-22(18-29)9-11-23/h3-15,25-26H,2,16-19,29-30H2,1H3,(H,31,34)(H,32,33)/t25-,26+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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n/an/a 190n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


Article DOI: 10.1021/jm00014a003
BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 250n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1657-61 (2002)


Article DOI: 10.1016/s0960-894x(02)00234-2
BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM187110
PNG
(US9670157, 124 3-Methyl-1-(2-methyl-quinolin-6-ylm...)
Show SMILES Cc1nn(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-15-31(30-19(24)4)14-20-6-8-25-22(11-20)7-5-18(3)29-25/h5-11,15H,12-14,27H2,1-4H3,(H,28,32)
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n/an/a 301n/an/an/an/an/an/a



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 US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM163554
PNG
(US9687479, 332 1-[(2-methoxyphenyl)carbonyl]-3-(py...)
Show SMILES COc1ccccc1C(=O)n1nc(nc1NCc1nccs1)-c1ccccn1
Show InChI InChI=1S/C19H16N6O2S/c1-27-15-8-3-2-6-13(15)18(26)25-19(22-12-16-21-10-11-28-16)23-17(24-25)14-7-4-5-9-20-14/h2-11H,12H2,1H3,(H,22,23,24)
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n/an/a 550n/an/an/an/an/an/a



VERSEON CORPORATION

US Patent


Assay Description
Recombinant human tissue kallikrein (KLK1) was obtained from R&D Systems. Pro-Phe-Arg-AMC (I-1295) substrate was obtained from Bachem. KLK1 enzyme is...


US Patent US9687479 (2017)


BindingDB Entry DOI: 10.7270/Q2N29V4R
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM187112
PNG
(US9670157, 126 1-(2-Methyl-quinolin-6-ylmethyl)-3-...)
Show SMILES Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H26F3N5O/c1-15-8-19(11-30)9-16(2)21(15)12-31-25(35)22-14-34(33-24(22)26(27,28)29)13-18-5-7-23-20(10-18)6-4-17(3)32-23/h4-10,14H,11-13,30H2,1-3H3,(H,31,35)
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n/an/a 566n/an/an/an/an/an/a



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 US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Kallikrein.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM187111
PNG
(US9670157, 125 5-Methyl-1-(2-methyl-quinolin-6-ylm...)
Show SMILES Cc1c(cnn1Cc1ccc2nc(C)ccc2c1)C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-14-29-31(19(24)4)15-20-6-8-25-22(11-20)7-5-18(3)30-25/h5-11,14H,12-13,15,27H2,1-4H3,(H,28,32)
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n/an/a 657n/an/an/an/an/an/a



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 US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Kallikrein 1


(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)
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n/an/a 960n/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))
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)
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n/an/a 960n/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))
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)
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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 (KLK1)


(Homo sapiens (Human))
BDBM200010
PNG
(US9234000, 1)
Show SMILES CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)C(=O)CC)cc1
Show InChI InChI=1S/C31H38N4O4/c1-3-30(37)35(34-22-27(36)18-24-14-16-28(17-15-24)39-4-2)29(19-23-8-6-5-7-9-23)31(38)33-21-26-12-10-25(20-32)11-13-26/h5-17,29,34H,3-4,18-22,32H2,1-2H3,(H,33,38)/t29-/m0/s1
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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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200018
PNG
(US9234000, 9)
Show SMILES CN(C)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C28H40N4O2/c1-32(2)26(18-22-11-7-4-8-12-22)28(34)31-25(17-21-9-5-3-6-10-21)27(33)30-20-24-15-13-23(19-29)14-16-24/h3,5-6,9-10,13-16,22,25-26H,4,7-8,11-12,17-20,29H2,1-2H3,(H,30,33)(H,31,34)/t25-,26+/m0/s1
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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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200016
PNG
(US9234000, 7)
Show SMILES CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)C(=O)CC)cc1
Show InChI InChI=1S/C31H37FN4O4/c1-3-30(38)36(35-21-26(37)16-23-11-14-27(15-12-23)40-4-2)29(18-22-8-6-5-7-9-22)31(39)34-20-24-10-13-25(19-33)28(32)17-24/h5-15,17,29,35H,3-4,16,18-21,33H2,1-2H3,(H,34,39)/t29-/m0/s1
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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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200017
PNG
(US9234000, 8)
Show SMILES NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CC2CCCCC2)cc1
Show InChI InChI=1S/C26H36N4O2/c27-17-21-11-13-22(14-12-21)18-29-26(32)24(16-20-9-5-2-6-10-20)30-25(31)23(28)15-19-7-3-1-4-8-19/h2,5-6,9-14,19,23-24H,1,3-4,7-8,15-18,27-28H2,(H,29,32)(H,30,31)/t23-,24+/m1/s1
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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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200015
PNG
(US9234000, 6)
Show SMILES CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)cc1
Show InChI InChI=1S/C28H33FN4O3/c1-2-36-23-12-9-20(10-13-23)15-25(31)27(34)33-26(16-19-6-4-3-5-7-19)28(35)32-18-21-8-11-22(17-30)24(29)14-21/h3-14,25-26H,2,15-18,30-31H2,1H3,(H,32,35)(H,33,34)/t25-,26+/m1/s1
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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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200093
PNG
(US9234000, 84)
Show SMILES CCOc1ccc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C34H37ClN4O5S/c1-2-44-29-16-12-25(13-17-29)21-32(39-45(42,43)30-18-14-28(35)15-19-30)34(41)38-31(20-24-6-4-3-5-7-24)33(40)37-23-27-10-8-26(22-36)9-11-27/h3-19,31-32,39H,2,20-23,36H2,1H3,(H,37,40)(H,38,41)/t31-,32+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263327
PNG
(1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1cnc2[nH]ccc2c1
Show InChI InChI=1S/C23H22F3N7O/c24-23(25,26)20-18(22(34)30-12-16-9-17-5-6-27-21(17)29-11-16)14-33(31-20)13-15-3-4-19(28-10-15)32-7-1-2-8-32/h3-6,9-11,14H,1-2,7-8,12-13H2,(H,27,29)(H,30,34)
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n/an/a 1.21E+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))
BDBM263297
PNG
(1-(6-ethoxy-5-fluoro-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES CCOc1ncc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cc1F
Show InChI InChI=1S/C23H20F4N6O2/c1-2-35-22-18(24)8-14(10-31-22)11-33-12-17(19(32-33)23(25,26)27)21(34)30-9-13-3-4-16-15(7-13)5-6-29-20(16)28/h3-8,10,12H,2,9,11H2,1H3,(H2,28,29)(H,30,34)
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n/an/a 1.30E+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 (KLK1)


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


Article DOI: 10.1021/jm00014a003
BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein 1


(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)
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n/an/a 1.57E+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 (KLK1)


(Homo sapiens (Human))
BDBM200027
PNG
(US9234000, 18)
Show SMILES NCc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](N)Cc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H27Cl2F3N4O2/c28-21-10-7-19(11-22(21)29)13-24(26(38)35-15-18-3-1-17(14-33)2-4-18)36-25(37)23(34)12-16-5-8-20(9-6-16)27(30,31)32/h1-11,23-24H,12-15,33-34H2,(H,35,38)(H,36,37)/t23-,24+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263313
PNG
(1-(5-chloro-6-ethoxy-pyridin-3-ylmethyl)-3-cyclopr...)
Show SMILES CCOc1ncc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C2CC2)cc1Cl
Show InChI InChI=1S/C25H25ClN6O2/c1-2-34-25-21(26)10-16(12-30-25)13-32-14-20(22(31-32)17-4-5-17)24(33)29-11-15-3-6-19-18(9-15)7-8-28-23(19)27/h3,6-10,12,14,17H,2,4-5,11,13H2,1H3,(H2,27,28)(H,29,33)
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n/an/a 2.00E+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 (KLK1)


(Homo sapiens (Human))
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against kallikrein was determined


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1657-61 (2002)


Article DOI: 10.1016/s0960-894x(02)00234-2
BindingDB Entry DOI: 10.7270/Q2R49Q2T
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200024
PNG
(US9234000, 15)
Show SMILES CCOc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C34H38N4O5S/c1-2-43-29-19-17-26(18-20-29)22-32(38-44(41,42)30-11-7-4-8-12-30)34(40)37-31(21-25-9-5-3-6-10-25)33(39)36-24-28-15-13-27(23-35)14-16-28/h3-20,31-32,38H,2,21-24,35H2,1H3,(H,36,39)(H,37,40)/t31-,32+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263240
PNG
(3-cyclopropyl-1-(5-methoxy-6-pyrrolidin-1-yl-pyrid...)
Show SMILES COc1cc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C2CC2)cnc1N1CCCC1
Show InChI InChI=1S/C28H31N7O2/c1-37-24-13-19(15-31-27(24)34-10-2-3-11-34)16-35-17-23(25(33-35)20-5-6-20)28(36)32-14-18-4-7-22-21(12-18)8-9-30-26(22)29/h4,7-9,12-13,15,17,20H,2-3,5-6,10-11,14,16H2,1H3,(H2,29,30)(H,32,36)
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n/an/a 2.21E+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 (KLK1)


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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n/an/a 2.32E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


Article DOI: 10.1021/jm00014a003
BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM186854
PNG
(US9670157, 20 2,5-Dimethyl-1-thiophen-2-ylmethyl-1...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccs1
Show InChI InChI=1S/C20H23N3OS/c1-14-10-19(15(2)23(14)13-18-4-3-9-25-18)20(24)22-12-17-7-5-16(11-21)6-8-17/h3-10H,11-13,21H2,1-2H3,(H,22,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



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 US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200050
PNG
(US9234000, 41)
Show SMILES CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(CN)c(F)c1
Show InChI InChI=1S/C27H35Cl2FN4O2/c1-32-24(13-17-5-3-2-4-6-17)27(36)34-25(14-18-8-10-21(28)22(29)11-18)26(35)33-16-19-7-9-20(15-31)23(30)12-19/h7-12,17,24-25,32H,2-6,13-16,31H2,1H3,(H,33,35)(H,34,36)/t24-,25+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM187114
PNG
(US9670157, 128 2,5-Dimethyl-1-(2-methyl-quinolin-6...)
Show SMILES Cc1cc(C(=O)NCc2c(C)cc(CN)cc2C)c(C)n1Cc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C28H32N4O/c1-17-10-23(14-29)11-18(2)26(17)15-30-28(33)25-12-20(4)32(21(25)5)16-22-7-9-27-24(13-22)8-6-19(3)31-27/h6-13H,14-16,29H2,1-5H3,(H,30,33)
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n/an/a 2.66E+3n/an/an/an/an/an/a



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 US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263296
PNG
(1-(6-chloro-5-ethoxy-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES CCOc1cc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cnc1Cl
Show InChI InChI=1S/C23H20ClF3N6O2/c1-2-35-18-8-14(10-30-20(18)24)11-33-12-17(19(32-33)23(25,26)27)22(34)31-9-13-3-4-16-15(7-13)5-6-29-21(16)28/h3-8,10,12H,2,9,11H2,1H3,(H2,28,29)(H,31,34)
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n/an/a 2.77E+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))
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)
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n/an/a 2.79E+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 (KLK1)


(Homo sapiens (Human))
BDBM200109
PNG
(US9234000, 100)
Show SMILES CCOc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C35H40N4O5S/c1-2-44-31-19-17-27(18-20-31)22-33(39-45(42,43)25-30-11-7-4-8-12-30)35(41)38-32(21-26-9-5-3-6-10-26)34(40)37-24-29-15-13-28(23-36)14-16-29/h3-20,32-33,39H,2,21-25,36H2,1H3,(H,37,40)(H,38,41)/t32-,33+/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200094
PNG
(US9234000, 85)
Show SMILES CCOc1ccc(cc1)[C@H](C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1)c1ccccc1
Show InChI InChI=1S/C36H40N4O4/c1-2-44-31-19-17-30(18-20-31)34(29-11-7-4-8-12-29)36(43)38-22-21-33(41)40-32(23-26-9-5-3-6-10-26)35(42)39-25-28-15-13-27(24-37)14-16-28/h3-20,32,34H,2,21-25,37H2,1H3,(H,38,43)(H,39,42)(H,40,41)/t32-,34+/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein 1


(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)
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n/an/a 3.01E+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))
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
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n/an/a 3.11E+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))
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))
BDBM263243
PNG
(1-(6-ethoxy-pyridin-3-ylmethyl)-3-(2-methoxy-acety...)
Show SMILES CCOc1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(NC(=O)COC)n2)cn1
Show InChI InChI=1S/C25H27N7O4/c1-3-36-22-7-5-17(12-28-22)13-32-14-20(24(31-32)30-21(33)15-35-2)25(34)29-11-16-4-6-19-18(10-16)8-9-27-23(19)26/h4-10,12,14H,3,11,13,15H2,1-2H3,(H2,26,27)(H,29,34)(H,30,31,33)
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n/an/a 3.20E+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 (KLK1)


(Homo sapiens (Human))
BDBM200096
PNG
(US9234000, 87)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CCCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C38H44N4O4/c1-2-46-33-22-20-30(21-23-33)25-35(41-36(43)15-9-14-28-10-5-3-6-11-28)38(45)42-34(24-29-12-7-4-8-13-29)37(44)40-27-32-18-16-31(26-39)17-19-32/h3-8,10-13,16-23,34-35H,2,9,14-15,24-27,39H2,1H3,(H,40,44)(H,41,43)(H,42,45)/t34-,35+/m0/s1
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US Patent
n/an/a 3.40E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
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)
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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))
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)
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n/an/a 3.53E+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 (KLK1)


(Homo sapiens (Human))
BDBM200085
PNG
(US9234000, 76)
Show SMILES CCCCCC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C34H44N4O4/c1-3-5-7-12-32(39)37-31(22-26-17-19-29(20-18-26)42-4-2)34(41)38-30(21-25-10-8-6-9-11-25)33(40)36-24-28-15-13-27(23-35)14-16-28/h6,8-11,13-20,30-31H,3-5,7,12,21-24,35H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)/t30-,31+/m0/s1
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US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200023
PNG
(US9234000, 14)
Show SMILES CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C28H32Cl2N4O3/c1-2-37-22-10-7-18(8-11-22)14-25(32)27(35)34-26(15-21-9-12-23(29)24(30)13-21)28(36)33-17-20-5-3-19(16-31)4-6-20/h3-13,25-26H,2,14-17,31-32H2,1H3,(H,33,36)(H,34,35)/t25-,26+/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200098
PNG
(US9234000, 89)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2ccccc2Cl)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C35H37ClN4O4/c1-2-44-28-18-16-25(17-19-28)21-32(39-33(41)29-10-6-7-11-30(29)36)35(43)40-31(20-24-8-4-3-5-9-24)34(42)38-23-27-14-12-26(22-37)13-15-27/h3-19,31-32H,2,20-23,37H2,1H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1
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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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200029
PNG
(US9234000, 20)
Show SMILES NCc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](N)CC2CCCCC2)cc1
Show InChI InChI=1S/C26H34Cl2N4O2/c27-21-11-10-20(12-22(21)28)14-24(26(34)31-16-19-8-6-18(15-29)7-9-19)32-25(33)23(30)13-17-4-2-1-3-5-17/h6-12,17,23-24H,1-5,13-16,29-30H2,(H,31,34)(H,32,33)/t23-,24+/m1/s1
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US Patent
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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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200195
PNG
(US9234000, 186)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)c2[nH]ccc2C)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C36H39N5O4S/c1-3-45-28-14-12-24(13-15-28)18-30(41-36(44)33-23(2)16-17-38-33)35(43)40-31(19-27-22-46-32-7-5-4-6-29(27)32)34(42)39-21-26-10-8-25(20-37)9-11-26/h4-17,22,30-31,38H,3,18-21,37H2,1-2H3,(H,39,42)(H,40,43)(H,41,44)/t30-,31+/m1/s1
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US Patent
n/an/a 3.80E+3n/an/an/an/an/an/a



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 US9234000 (2016)


BindingDB Entry DOI: 10.7270/Q2X065W0
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263277
PNG
(1-(6-ethoxy-pyridin-3-ylmethyl)-3-trifluoromethyl-...)
Show SMILES CCOc1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cn1
Show InChI InChI=1S/C23H21F3N6O2/c1-2-34-19-6-4-15(11-29-19)12-32-13-18(20(31-32)23(24,25)26)22(33)30-10-14-3-5-17-16(9-14)7-8-28-21(17)27/h3-9,11,13H,2,10,12H2,1H3,(H2,27,28)(H,30,33)
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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
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