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PubMed code 26848109

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Kallikrein-2


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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PubMed
 1.60E+3n/an/an/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human tissue kallikrein-2 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated fo...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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PubMed
 3.60E+3n/an/an/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human tissue kallikrein-1 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated fo...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-2


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-2 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-1 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-5 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Prostate-specific antigen


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-3 expressed in baculovirus infected insect cells using Abz-KLYSSQ-EDDnp as substrate preincubated for 10 mins f...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-6 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins f...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))		BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-7 expressed in baculovirus infected insect cells using Abz-KLYSSQ-EDDnp as substrate preincubated for 10 mins f...

Bioorg Med Chem Lett 26: 1485-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.039
BindingDB Entry DOI: 10.7270/Q2862J9K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%