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Compile Data Set for Download or QSAR

Found 931 hits with Last Name = 'pethen' and Initial = 'sj'   
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))
BDBM528106
PNG
(N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
PDB

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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528123
PNG
(N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methy...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
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0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455297
PNG
(US10730874, Compound TABLE II.2 | US11180484, Exam...)
Show SMILES COCc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
Show InChI InChI=1S/C25H28FN9O3/c1-37-15-20-19(14-34(30-20)13-17-5-8-23(27-11-17)33-9-3-4-10-33)25(36)28-12-18-21(35-16-29-31-32-35)6-7-22(38-2)24(18)26/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,28,36)
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0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528127
PNG
(US11180484, Example 79 | US11180484, Reference Exa...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.230n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528105
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528131
PNG
(1-{[2-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-5-yl]...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528119
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528127
PNG
(US11180484, Example 79 | US11180484, Reference Exa...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.380n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528074
PNG
(N-{[2-Fluoro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methy...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)cccc1-n1cnnn1
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0.520n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528130
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1
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0.530n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528094
PNG
(N-[(4-methoxy-3-methylpyridin-2-yl)methyl]-3-(meth...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C
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1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528129
PNG
(N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528133
PNG
(1-{[2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM408717
PNG
( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM408666
PNG
(3-Amino-1-[4-(2-oxo-2H-pyridin-1-ylmethyl)-benzyl]...)
Show SMILES COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
Show InChI InChI=1S/C25H24FN5O3/c1-34-21-6-4-5-19(23(21)26)13-28-25(33)20-16-31(29-24(20)27)15-18-10-8-17(9-11-18)14-30-12-3-2-7-22(30)32/h2-12,16H,13-15H2,1H3,(H2,27,29)(H,28,33)
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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528077
PNG
(N-i6-chloro-2-fluoro-3-methoxybenzyl)-1 -ii2-methy...)
Show SMILES COc1ccc(Cl)c(CNC(=O)c2cn(Cc3ccc4nc(C)ccc4c3)nn2)c1F
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139n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528122
PNG
(3-amino-N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phen...)
Show SMILES Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
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n/an/a 0.300n/an/an/an/an/an/a


TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528130
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1
PDB

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n/an/a 0.300n/an/an/an/an/an/a


TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528106
PNG
(N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
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n/an/a 0.400n/an/an/an/an/an/a


TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50591423
PNG
(CHEMBL5189653)
Show SMILES Nc1cccc2cc(CNC(=O)c3cnn(Cc4ccc(Cn5ccccc5=O)cc4)c3)ccc12
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n/an/a 0.590n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528121
PNG
(N-{[2-fluoro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methy...)
Show SMILES Fc1cccc(c1CNC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1C(F)(F)F)-n1cnnn1
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n/an/a 0.600n/an/an/an/an/an/a


TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


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

US Patent


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


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM187100
PNG
(US9670157, 114 3-Methyl-1-[4-(4-methyl-pyrazol-1-y...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(C)n3)cc2)c1
Show InChI InChI=1S/C27H32N6O/c1-18-12-30-32(14-18)15-22-5-7-23(8-6-22)16-33-17-26(21(4)31-33)27(34)29-13-25-19(2)9-24(11-28)10-20(25)3/h5-10,12,14,17H,11,13,15-16,28H2,1-4H3,(H,29,34)
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n/an/a 0.600n/an/an/an/an/an/a



Kalvista Pharmceuticals 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 US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528105
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528108
PNG
(N-[(6-carbamoyl-2-fluoro-3-methoxyphenyl)methyl]-3...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C(N)=O
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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM408768
PNG
(N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
Show InChI InChI=1S/C28H26FN5O4/c1-37-18-24-23(28(36)31-14-22-21(13-30)10-11-25(38-2)27(22)29)17-34(32-24)16-20-8-6-19(7-9-20)15-33-12-4-3-5-26(33)35/h3-12,17H,14-16,18H2,1-2H3,(H,31,36)
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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528123
PNG
(N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methy...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528132
PNG
(1-{[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]me...)
Show SMILES COCc1nn(Cc2ccc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528119
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM187097
PNG
(US9670157, 111 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C26H30N6O/c1-18-11-29-31(14-18)15-21-4-6-22(7-5-21)16-32-17-24(12-30-32)26(33)28-13-25-19(2)8-23(10-27)9-20(25)3/h4-9,11-12,14,17H,10,13,15-16,27H2,1-3H3,(H,28,33)
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Kalvista Pharmceuticals 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 US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM187104
PNG
(US9670157, 118 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C27H29F3N6O/c1-17-11-33-35(13-17)14-20-4-6-21(7-5-20)15-36-16-24(25(34-36)27(28,29)30)26(37)32-12-23-18(2)8-22(10-31)9-19(23)3/h4-9,11,13,16H,10,12,14-15,31H2,1-3H3,(H,32,37)
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Kalvista Pharmceuticals 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 US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
More data for this
Ligand-Target Pair
Plasma kallikrein


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

US Patent


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


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein


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

US Patent


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


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM408768
PNG
(N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
Show InChI InChI=1S/C28H26FN5O4/c1-37-18-24-23(28(36)31-14-22-21(13-30)10-11-25(38-2)27(22)29)17-34(32-24)16-20-8-6-19(7-9-20)15-33-12-4-3-5-26(33)35/h3-12,17H,14-16,18H2,1-2H3,(H,31,36)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528074
PNG
(N-{[2-Fluoro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methy...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)cccc1-n1cnnn1
PDB

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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455297
PNG
(US10730874, Compound TABLE II.2 | US11180484, Exam...)
Show SMILES COCc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
Show InChI InChI=1S/C25H28FN9O3/c1-37-15-20-19(14-34(30-20)13-17-5-8-23(27-11-17)33-9-3-4-10-33)25(36)28-12-18-21(35-16-29-31-32-35)6-7-22(38-2)24(18)26/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,28,36)
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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528127
PNG
(US11180484, Example 79 | US11180484, Reference Exa...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
PDB

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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528102
PNG
(3-amino-N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1...)
Show SMILES COc1ccc(F)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
PDB

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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528116
PNG
(N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-1-({4...)
Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
PDB

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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528120
PNG
(N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...)
Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
PDB

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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528131
PNG
(1-{[2-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-5-yl]...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
PDB

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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528083
PNG
(3-amino-N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]...)
Show SMILES COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
PDB

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TBA

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

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM187092
PNG
(US9670157, 106 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-...)
Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
Show InChI InChI=1S/C25H28N6O/c1-18-11-28-30(14-18)15-20-3-5-21(6-4-20)16-31-17-24(13-29-31)25(32)27-12-23-8-7-22(10-26)9-19(23)2/h3-9,11,13-14,17H,10,12,15-16,26H2,1-2H3,(H,27,32)
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Kalvista Pharmceuticals 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 US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
More data for this
Ligand-Target Pair
Plasma kallikrein


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

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Kalvista Pharmceuticals 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 US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
More data for this
Ligand-Target Pair
Plasma kallikrein


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

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Kalvista Pharmceuticals 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 US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
More data for this
Ligand-Target Pair
Plasma kallikrein


(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)
PDB

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Kalvista Pharmceuticals 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 US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
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

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ
More data for this
Ligand-Target Pair
Plasma kallikrein


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

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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein


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

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Kalvista Pharmaceuticals Limited

US Patent


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


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Plasma kallikrein


(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)
PDB

UniProtKB/SwissProt

antibodypedia
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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...


US Patent US9670157 (2017)


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