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PubMed code 1517742

Compile data set for download or QSAR
Found 9 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
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50292544
PNG
(3,4,6,7-tetrahydroxyxanthone | CHEMBL477740)
Show SMILES Oc1ccc2c(oc3cc(O)c(O)cc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-2-1-5-11(17)6-3-8(15)9(16)4-10(6)19-13(5)12(7)18/h1-4,14-16,18H
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PubMed
 1.42E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50292547
PNG
(1,3,5,6-tetrahydroxyxanthone | 1,3,5,6-tetrahydrox...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
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PubMed
 3.42E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50292546
PNG
(3,4,5,6-tetrahydroxyxanthone | CHEMBL477921 | US91...)
Show SMILES Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
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PubMed
 1.26E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50155447
PNG
(1,3,6,7-Tetrahydroxy-xanthen-9-one | 1,3,6,7-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1cc(O)c(O)cc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
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PubMed
 2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50292544
PNG
(3,4,6,7-tetrahydroxyxanthone | CHEMBL477740)
Show SMILES Oc1ccc2c(oc3cc(O)c(O)cc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-2-1-5-11(17)6-3-8(15)9(16)4-10(6)19-13(5)12(7)18/h1-4,14-16,18H
PDB
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PubMed
n/an/a 3.54E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50292547
PNG
(1,3,5,6-tetrahydroxyxanthone | 1,3,5,6-tetrahydrox...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
PDB
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PubMed
n/an/a 6.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50292546
PNG
(3,4,5,6-tetrahydroxyxanthone | CHEMBL477921 | US91...)
Show SMILES Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
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PubMed
n/an/a 2.39E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50155447
PNG
(1,3,6,7-Tetrahydroxy-xanthen-9-one | 1,3,6,7-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1cc(O)c(O)cc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
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PubMed
n/an/a 5.31E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))		BDBM50292545
PNG
(2,3,6,7-Tethrahydroxyxanthone | CHEMBL12700)
Show SMILES Oc1cc2oc3cc(O)c(O)cc3c(=O)c2cc1O
Show InChI InChI=1S/C13H8O6/c14-7-1-5-11(3-9(7)16)19-12-4-10(17)8(15)2-6(12)13(5)18/h1-4,14-17H
PDB
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PubMed
n/an/a 7.69E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE

J Nat Prod 55: 691-695 (1992)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%