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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'el amri' and Initial = 'c'   
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
Plasminogen


(Homo sapiens (Human))
BDBM588058
PNG
(US11541023, Compound 6)
Show SMILES CC(C)c1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
PDB
MMDB

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670n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM588055
PNG
(US11541023, Compound 3)
Show SMILES NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
PDB
MMDB

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790n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50574434
PNG
(CHEMBL4861066)
Show SMILES Cl.NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
PDB
MMDB

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800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM588057
PNG
(US11541023, Compound 5)
Show SMILES COc1ccc2c(O)c(ccc2c1)C(=O)Nc1ccc(CN)cc1
PDB
MMDB

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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50574435
PNG
(CHEMBL4862261)
Show SMILES Cl.COc1ccc2c(O)c(ccc2c1)C(=O)Nc1ccc(CN)cc1
PDB
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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50574434
PNG
(CHEMBL4861066)
Show SMILES Cl.NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
PDB
MMDB

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1.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of plasmin (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM588055
PNG
(US11541023, Compound 3)
Show SMILES NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
PDB
MMDB

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1.32E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50574432
PNG
(CHEMBL4863108)
Show SMILES Cl.CC(C)c1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
PDB
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1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50574433
PNG
(CHEMBL4852575)
Show SMILES Cl.NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
PDB
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1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of plasmin (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM588054
PNG
(US11541023, Compound 2)
Show SMILES NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
PDB
MMDB

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1.51E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM588058
PNG
(US11541023, Compound 6)
Show SMILES CC(C)c1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
PDB
MMDB

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1.75E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM588056
PNG
(US11541023, Compound 4)
Show SMILES Cc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
PDB
MMDB

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1.92E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50574431
PNG
(CHEMBL4847066)
Show SMILES Cl.Cc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
PDB
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2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM588057
PNG
(US11541023, Compound 5)
Show SMILES COc1ccc2c(O)c(ccc2c1)C(=O)Nc1ccc(CN)cc1
PDB
MMDB

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2.16E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM588054
PNG
(US11541023, Compound 2)
Show SMILES NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
PDB
MMDB

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2.26E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50574433
PNG
(CHEMBL4852575)
Show SMILES Cl.NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
PDB
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2.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50574434
PNG
(CHEMBL4861066)
Show SMILES Cl.NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
PDB

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2.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of KLK1 (unknown origin) assessed as release of AMC fluorescent product using H-PFR-AMC as substrate incubated for 30 mins by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50574430
PNG
(CHEMBL4853943)
Show SMILES Cl.CC(C)(C)c1ccc(O)c(c1)C(=O)Nc1ccc(CN)cc1
PDB
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4.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM32709
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
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4.40E+3n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by double-reciprocal plot analysis


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM588053
PNG
(US11541023, Compound 1)
Show SMILES CC(C)(C)c1ccc(O)c(c1)C(=O)Nc1ccc(CN)cc1
PDB
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4.44E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM588056
PNG
(US11541023, Compound 4)
Show SMILES Cc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
PDB
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4.66E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM588053
PNG
(US11541023, Compound 1)
Show SMILES CC(C)(C)c1ccc(O)c(c1)C(=O)Nc1ccc(CN)cc1
PDB
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1.44E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
In a typical test, 100 μl of reaction medium contains the buffer, 1 μl of recombinant enzyme, 1 μl of substrate (Boc-QAR-AMC) and 1 &#...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35ZH4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50574430
PNG
(CHEMBL4853943)
Show SMILES Cl.CC(C)(C)c1ccc(O)c(c1)C(=O)Nc1ccc(CN)cc1
PDB
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1.45E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of plasmin (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02175
BindingDB Entry DOI: 10.7270/Q2Z89H6C
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444601
PNG
(CHEMBL3099881)
Show SMILES Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50073221
PNG
(CHEMBL3408420)
Show SMILES COc1ccc(cc1OC)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:11|
Show InChI InChI=1S/C25H22N4O3/c1-31-19-12-11-17(15-20(19)32-2)24-26-18(14-16-8-4-3-5-9-16)23(30)22-25(28-24)27-21-10-6-7-13-29(21)22/h3-13,15,18H,14H2,1-2H3,(H,26,28)/t18-/m0/s1
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2.70E+4n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 93: 202-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.008
BindingDB Entry DOI: 10.7270/Q27P913V
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444601
PNG
(CHEMBL3099881)
Show SMILES Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)
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4.40E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444600
PNG
(CHEMBL1462676)
Show SMILES CNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H18N4O2/c1-23-22(28)15-6-10-16(11-7-15)24-21-19-5-3-2-4-18(19)20(25-26-21)14-8-12-17(27)13-9-14/h2-13,27H,1H3,(H,23,28)(H,24,26)
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5.00E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50073222
PNG
(CHEMBL3125572)
Show SMILES Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8|
Show InChI InChI=1S/C24H20N4O/c1-16-9-5-6-12-18(16)23-25-19(15-17-10-3-2-4-11-17)22(29)21-24(27-23)26-20-13-7-8-14-28(20)21/h2-14,19H,15H2,1H3,(H,25,27)/t19-/m0/s1
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5.06E+4n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 93: 202-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.008
BindingDB Entry DOI: 10.7270/Q27P913V
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444598
PNG
(CHEMBL3099878)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O4/c1-29-21-13-16(6-7-20(21)31-15-22(28)27-8-10-30-11-9-27)12-17(14-24)23-25-18-4-2-3-5-19(18)26-23/h2-7,12-13H,8-11,15H2,1H3,(H,25,26)/b17-12-
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5.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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7.00E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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7.20E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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7.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444597
PNG
(CHEMBL3099882)
Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+
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8.30E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444599
PNG
(CHEMBL3099875)
Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1
Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-
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9.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50444597
PNG
(CHEMBL3099882)
Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+
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9.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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1.07E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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1.12E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50444598
PNG
(CHEMBL3099878)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O4/c1-29-21-13-16(6-7-20(21)31-15-22(28)27-8-10-30-11-9-27)12-17(14-24)23-25-18-4-2-3-5-19(18)26-23/h2-7,12-13H,8-11,15H2,1H3,(H,25,26)/b17-12-
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1.21E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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1.29E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444598
PNG
(CHEMBL3099878)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O4/c1-29-21-13-16(6-7-20(21)31-15-22(28)27-8-10-30-11-9-27)12-17(14-24)23-25-18-4-2-3-5-19(18)26-23/h2-7,12-13H,8-11,15H2,1H3,(H,25,26)/b17-12-
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1.31E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444599
PNG
(CHEMBL3099875)
Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1
Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-
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1.40E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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1.52E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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1.64E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444597
PNG
(CHEMBL3099882)
Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+
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1.66E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50444600
PNG
(CHEMBL1462676)
Show SMILES CNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H18N4O2/c1-23-22(28)15-6-10-16(11-7-15)24-21-19-5-3-2-4-18(19)20(25-26-21)14-8-12-17(27)13-9-14/h2-13,27H,1H3,(H,23,28)(H,24,26)
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1.66E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM32709
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
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n/an/a 40n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM51911
PNG
((4-isopropoxybenzyl)-[3-(2-methoxyphenyl)-3-(4-met...)
Show SMILES COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
Show InChI InChI=1S/C27H33NO3/c1-20(2)31-24-13-9-21(10-14-24)19-28-18-17-25(22-11-15-23(29-3)16-12-22)26-7-5-6-8-27(26)30-4/h5-16,20,25,28H,17-19H2,1-4H3
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n/an/a 140n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM33882
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...)
Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)
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n/an/a 220n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM33437
PNG
((5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimetho...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
Show InChI InChI=1S/C17H16N4O3/c1-23-13-9-8-12(10-14(13)24-2)16(22)21-17(18)19-15(20-21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,18,19,20)
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n/an/a 230n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
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