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877 molecules are shown

Wt: 324.4
BDBM50309586Purchase		Wt: 334.1
BDBM50438170Purchase		Wt: 402.4
BDBM50444597Purchase		Wt: 418.4
BDBM50444598Purchase		Wt: 324.3
BDBM50444602Purchase
Wt: 324.3
BDBM50444603Purchase		Wt: 310.3
BDBM50444604Purchase
<<  First   |  Previous   |  Displayed 871 to 877 (of 877 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50309586,50438170,50444597,50444598,50444602,50444603,50444604   
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-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-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))		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-14


(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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n/an/a 1.01E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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-14


(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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n/an/a 1.06E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 1.06E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 9.40E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 1.07E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 1.17E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 1.25E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 1.27E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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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n/an/a 1.17E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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-14


(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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n/an/a 9.90E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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-14


(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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n/an/a 1.08E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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-14


(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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n/an/a 1.12E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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
Suppressor of tumorigenicity 14 protein


(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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n/an/a 1.11E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay

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
Suppressor of tumorigenicity 14 protein


(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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n/an/a 9.80E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay

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
Suppressor of tumorigenicity 14 protein


(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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n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay

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
Suppressor of tumorigenicity 14 protein


(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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n/an/a 1.28E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay

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
Suppressor of tumorigenicity 14 protein


(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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n/an/a 1.03E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay

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
Phospholipase A-2-activating protein


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLAP by analogous luminescence assay

Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))		BDBM50309586
PNG
(2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-y...)
Show SMILES Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
Show InChI InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
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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n/an/a 1.31E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay

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))		BDBM50438170
PNG
(CHEMBL2407437)
Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1Cl)-c1cccnc1
Show InChI InChI=1S/C14H9Cl2N5O/c15-9-3-4-10(11(16)6-9)13(22)21-14(17)19-12(20-21)8-2-1-5-18-7-8/h1-7H,(H2,17,19,20)
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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))		BDBM50438170
PNG
(CHEMBL2407437)
Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1Cl)-c1cccnc1
Show InChI InChI=1S/C14H9Cl2N5O/c15-9-3-4-10(11(16)6-9)13(22)21-14(17)19-12(20-21)8-2-1-5-18-7-8/h1-7H,(H2,17,19,20)
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n/an/a 3.50E+3n/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