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Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'giangreco' and Initial = 'i'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50219206
PNG
(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50219206
PNG
(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50312803
PNG
((3aS,8aR)-3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
Show InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)/t28-,30-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50312803
PNG
((3aS,8aR)-3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
Show InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)/t28-,30-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50346444
PNG
(CHEMBL1782707 | [4-(4-morpholinyl)butyl]carbamic a...)
Show SMILES CN(C)CC(C)(C)c1cccc(OC(=O)NCCCCN2CCOCC2)c1
Show InChI InChI=1S/C21H35N3O3/c1-21(2,17-23(3)4)18-8-7-9-19(16-18)27-20(25)22-10-5-6-11-24-12-14-26-15-13-24/h7-9,16H,5-6,10-15,17H2,1-4H3,(H,22,25)
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n/an/a 9n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50346444
PNG
(CHEMBL1782707 | [4-(4-morpholinyl)butyl]carbamic a...)
Show SMILES CN(C)CC(C)(C)c1cccc(OC(=O)NCCCCN2CCOCC2)c1
Show InChI InChI=1S/C21H35N3O3/c1-21(2,17-23(3)4)18-8-7-9-19(16-18)27-20(25)22-10-5-6-11-24-12-14-26-15-13-24/h7-9,16H,5-6,10-15,17H2,1-4H3,(H,22,25)
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n/an/a 9n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392690
PNG
(CHEMBL2151359)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H13F3N2O6/c20-19(21,22)30-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(25)9-18(29)15(26)23-17(28)24-16(18)27/h1-8,29H,9H2,(H2,23,24,26,27,28)
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392693
PNG
(CHEMBL2151362)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C20H16N2O6/c1-11(23)12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(24)10-20(28)17(25)21-19(27)22-18(20)26/h2-9,28H,10H2,1H3,(H2,21,22,25,26,27)
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n/an/a 30n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392692
PNG
(CHEMBL2151361)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O7S/c1-29(27,28)14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 58n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392692
PNG
(CHEMBL2151361)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O7S/c1-29(27,28)14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 66n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392687
PNG
(CHEMBL2151356)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H13ClN2O5/c19-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(22)9-18(26)15(23)20-17(25)21-16(18)24/h1-8,26H,9H2,(H2,20,21,23,24,25)
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n/an/a 66n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392691
PNG
(CHEMBL2151360)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O5S/c1-27-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 86n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392694
PNG
(CHEMBL2151363)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H15N3O6/c20-15(24)13-7-3-11(4-8-13)10-1-5-12(6-2-10)14(23)9-19(28)16(25)21-18(27)22-17(19)26/h1-8,28H,9H2,(H2,20,24)(H2,21,22,25,26,27)
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n/an/a 87n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392686
PNG
(CHEMBL2151355)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O5/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 103n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392693
PNG
(CHEMBL2151362)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C20H16N2O6/c1-11(23)12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(24)10-20(28)17(25)21-19(27)22-18(20)26/h2-9,28H,10H2,1H3,(H2,21,22,25,26,27)
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n/an/a 109n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392691
PNG
(CHEMBL2151360)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O5S/c1-27-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 120n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392689
PNG
(CHEMBL2151358)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O6/c1-27-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 121n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392689
PNG
(CHEMBL2151358)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O6/c1-27-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 141n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392690
PNG
(CHEMBL2151359)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H13F3N2O6/c20-19(21,22)30-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(25)9-18(29)15(26)23-17(28)24-16(18)27/h1-8,29H,9H2,(H2,23,24,26,27,28)
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n/an/a 143n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392688
PNG
(CHEMBL2151357)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O6/c22-10-11-1-3-12(4-2-11)13-5-7-14(8-6-13)15(23)9-19(27)16(24)20-18(26)21-17(19)25/h1-8,22,27H,9-10H2,(H2,20,21,24,25,26)
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n/an/a 148n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346435
PNG
((1S,9aR)-1-((9H-thioxanthen-9-yl)methyl)octahydro-...)
Show SMILES C([C@@H]1CCCN2CCCC[C@H]12)C1c2ccccc2Sc2ccccc12 |r|
Show InChI InChI=1S/C23H27NS/c1-3-12-22-18(9-1)20(19-10-2-4-13-23(19)25-22)16-17-8-7-15-24-14-6-5-11-21(17)24/h1-4,9-10,12-13,17,20-21H,5-8,11,14-16H2/t17-,21+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392696
PNG
(CHEMBL2151365)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccsc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C16H12N2O5S/c19-12(7-16(23)13(20)17-15(22)18-14(16)21)10-3-1-9(2-4-10)11-5-6-24-8-11/h1-6,8,23H,7H2,(H2,17,18,20,21,22)
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n/an/a 153n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392696
PNG
(CHEMBL2151365)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccsc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C16H12N2O5S/c19-12(7-16(23)13(20)17-15(22)18-14(16)21)10-3-1-9(2-4-10)11-5-6-24-8-11/h1-6,8,23H,7H2,(H2,17,18,20,21,22)
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n/an/a 159n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392693
PNG
(CHEMBL2151362)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C20H16N2O6/c1-11(23)12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(24)10-20(28)17(25)21-19(27)22-18(20)26/h2-9,28H,10H2,1H3,(H2,21,22,25,26,27)
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Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392696
PNG
(CHEMBL2151365)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccsc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C16H12N2O5S/c19-12(7-16(23)13(20)17-15(22)18-14(16)21)10-3-1-9(2-4-10)11-5-6-24-8-11/h1-6,8,23H,7H2,(H2,17,18,20,21,22)
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n/an/a 181n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392689
PNG
(CHEMBL2151358)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O6/c1-27-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 184n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392683
PNG
(CHEMBL2151352)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H14N2O5/c21-14(10-18(25)15(22)19-17(24)20-16(18)23)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,25H,10H2,(H2,19,20,22,23,24)
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n/an/a 184n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392688
PNG
(CHEMBL2151357)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O6/c22-10-11-1-3-12(4-2-11)13-5-7-14(8-6-13)15(23)9-19(27)16(24)20-18(26)21-17(19)25/h1-8,22,27H,9-10H2,(H2,20,21,24,25,26)
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n/an/a 210n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50346417
PNG
(6-chloro-2-methoxy-N-(3-(((1R,9aR)-octahydro-1H-qu...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1 |r|
Show InChI InChI=1S/C27H34ClN3OS/c1-32-21-9-11-24-23(17-21)27(22-10-8-20(28)16-25(22)30-24)29-12-5-15-33-18-19-6-4-14-31-13-3-2-7-26(19)31/h8-11,16-17,19,26H,2-7,12-15,18H2,1H3,(H,29,30)/t19-,26+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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n/an/a 230n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
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n/an/a 260n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392683
PNG
(CHEMBL2151352)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H14N2O5/c21-14(10-18(25)15(22)19-17(24)20-16(18)23)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,25H,10H2,(H2,19,20,22,23,24)
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n/an/a 266n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392687
PNG
(CHEMBL2151356)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H13ClN2O5/c19-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(22)9-18(26)15(23)20-17(25)21-16(18)24/h1-8,26H,9H2,(H2,20,21,23,24,25)
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n/an/a 271n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392687
PNG
(CHEMBL2151356)
Show SMILES OC1(CC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H13ClN2O5/c19-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(22)9-18(26)15(23)20-17(25)21-16(18)24/h1-8,26H,9H2,(H2,20,21,23,24,25)
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n/an/a 278n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50392686
PNG
(CHEMBL2151355)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O5/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 301n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluor...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392691
PNG
(CHEMBL2151360)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O5S/c1-27-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 313n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50392686
PNG
(CHEMBL2151355)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)CC1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C19H16N2O5/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(22)10-19(26)16(23)20-18(25)21-17(19)24/h2-9,26H,10H2,1H3,(H2,20,21,23,24,25)
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n/an/a 336n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition me...


Eur J Med Chem 58: 368-76 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.036
BindingDB Entry DOI: 10.7270/Q28053QN
More data for this
Ligand-Target Pair
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