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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 408775   
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))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluoroge...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25B05N6
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/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...

US Patent US11001578 (2021)


BindingDB Entry DOI: 10.7270/Q2PK0K89
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/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. Human plasma kallikrein (Protogen) was incubated at 2...

US Patent US10364238 (2019)


BindingDB Entry DOI: 10.7270/Q2J968QP
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/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))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/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/Q29G5R07
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA

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 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods. Human plasma kallikrein (Protogen) was incubated at 2...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25B05N6
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA

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 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R07
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorog...

US Patent US10364238 (2019)


BindingDB Entry DOI: 10.7270/Q2J968QP
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/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 US11001578 (2021)


BindingDB Entry DOI: 10.7270/Q2PK0K89
More data for this
Ligand-Target Pair