Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'gilmer' and Initial = 'jf'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cholinesterase (Homo sapiens (Human))	BDBM50303940 (2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-...) Show SMILES Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350604 (CHEMBL1812922) Show SMILES O=C1NC(=O)C(N2CCCN(CC3CC3)CC2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O4/c30-22-25(23(31)27-24(32)26-22,29-14-4-13-28(15-16-29)17-18-7-8-18)19-9-11-21(12-10-19)33-20-5-2-1-3-6-20/h1-3,5-6,9-12,18H,4,7-8,13-17H2,(H2,26,27,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350604 (CHEMBL1812922) Show SMILES O=C1NC(=O)C(N2CCCN(CC3CC3)CC2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O4/c30-22-25(23(31)27-24(32)26-22,29-14-4-13-28(15-16-29)17-18-7-8-18)19-9-11-21(12-10-19)33-20-5-2-1-3-6-20/h1-3,5-6,9-12,18H,4,7-8,13-17H2,(H2,26,27,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50303950 (CHEMBL583687 | Isosorbide-2-benzylcarbamate-5-(o-t...) Show SMILES Cc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C22H23NO6/c1-14-7-5-6-10-16(14)21(24)28-17-12-26-20-18(13-27-19(17)20)29-22(25)23-11-15-8-3-2-4-9-15/h2-10,17-20H,11-13H2,1H3,(H,23,25)/t17-,18+,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350606 (CHEMBL1812924) Show SMILES CC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H24N4O5/c1-16(28)26-12-5-13-27(15-14-26)23(20(29)24-22(31)25-21(23)30)17-8-10-19(11-9-17)32-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3,(H2,24,25,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350607 (CHEMBL1812925) Show SMILES CN1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N4O4/c1-25-12-5-13-26(15-14-25)22(19(27)23-21(29)24-20(22)28)16-8-10-18(11-9-16)30-17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3,(H2,23,24,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350623 (CHEMBL1812941) Show SMILES Cc1c(oc2ccccc12)C(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H28N4O6/c1-20-24-10-5-6-11-25(24)41-26(20)27(36)34-16-7-17-35(19-18-34)31(28(37)32-30(39)33-29(31)38)21-12-14-23(15-13-21)40-22-8-3-2-4-9-22/h2-6,8-15H,7,16-19H2,1H3,(H2,32,33,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350606 (CHEMBL1812924) Show SMILES CC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H24N4O5/c1-16(28)26-12-5-13-27(15-14-26)23(20(29)24-22(31)25-21(23)30)17-8-10-19(11-9-17)32-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3,(H2,24,25,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350623 (CHEMBL1812941) Show SMILES Cc1c(oc2ccccc12)C(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H28N4O6/c1-20-24-10-5-6-11-25(24)41-26(20)27(36)34-16-7-17-35(19-18-34)31(28(37)32-30(39)33-29(31)38)21-12-14-23(15-13-21)40-22-8-3-2-4-9-22/h2-6,8-15H,7,16-19H2,1H3,(H2,32,33,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50253229 (CHEMBL445695 | Isosorbide-2-(benzylcarbamate)-5-mo...) Show SMILES [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C14H16N2O7/c17-14(15-6-9-4-2-1-3-5-9)22-10-7-20-13-11(23-16(18)19)8-21-12(10)13/h1-5,10-13H,6-8H2,(H,15,17)/t10-,11+,12+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuchE after 60 mins by carbamylation assay				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50388945 (CHEMBL2063430) Show SMILES OCCN(CCO)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H21N3O6/c24-12-10-23(11-13-25)20(17(26)21-19(28)22-18(20)27)14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-9,24-25H,10-13H2,(H2,21,22,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-2 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrop...				J Med Chem 55: 2154-62 (2012) Article DOI: 10.1021/jm201352k BindingDB Entry DOI: 10.7270/Q21N825K
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50253231 ((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...) Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50253231 ((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...) Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350599 (CHEMBL1812914) Show SMILES O=C1NC(=O)C(N2CCN(CC3CC3)CC2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H26N4O4/c29-21-24(22(30)26-23(31)25-21,28-14-12-27(13-15-28)16-17-6-7-17)18-8-10-20(11-9-18)32-19-4-2-1-3-5-19/h1-5,8-11,17H,6-7,12-16H2,(H2,25,26,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50252786 (CHEMBL492635 | Isosorbide-2-benzylcarbamate-5-cycl...) Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)C1CCCC1 |r| Show InChI InChI=1S/C20H25NO6/c22-19(14-8-4-5-9-14)26-15-11-24-18-16(12-25-17(15)18)27-20(23)21-10-13-6-2-1-3-7-13/h1-3,6-7,14-18H,4-5,8-12H2,(H,21,23)/t15-,16+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50388949 (CHEMBL2063518) Show SMILES OCC1CCCN(C1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H23N3O5/c26-14-15-5-4-12-25(13-15)22(19(27)23-21(29)24-20(22)28)16-8-10-18(11-9-16)30-17-6-2-1-3-7-17/h1-3,6-11,15,26H,4-5,12-14H2,(H2,23,24,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-9 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrop...				J Med Chem 55: 2154-62 (2012) Article DOI: 10.1021/jm201352k BindingDB Entry DOI: 10.7270/Q21N825K
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50303952 (2-(Dimethylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,...) Show SMILES CN(C)C(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1O |r| Show InChI InChI=1S/C16H19NO7/c1-17(2)16(20)24-12-8-22-13-11(7-21-14(12)13)23-15(19)9-5-3-4-6-10(9)18/h3-6,11-14,18H,7-8H2,1-2H3/t11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50388952 (CHEMBL2063432) Show SMILES OCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N4O5/c27-15-14-25-10-12-26(13-11-25)22(19(28)23-21(30)24-20(22)29)16-6-8-18(9-7-16)31-17-4-2-1-3-5-17/h1-9,27H,10-15H2,(H2,23,24,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-2 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrop...				J Med Chem 55: 2154-62 (2012) Article DOI: 10.1021/jm201352k BindingDB Entry DOI: 10.7270/Q21N825K
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350607 (CHEMBL1812925) Show SMILES CN1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N4O4/c1-25-12-5-13-26(15-14-25)22(19(27)23-21(29)24-20(22)28)16-8-10-18(11-9-16)30-17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3,(H2,23,24,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50388952 (CHEMBL2063432) Show SMILES OCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N4O5/c27-15-14-25-10-12-26(13-11-25)22(19(28)23-21(30)24-20(22)29)16-6-8-18(9-7-16)31-17-4-2-1-3-5-17/h1-9,27H,10-15H2,(H2,23,24,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-9 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrop...				J Med Chem 55: 2154-62 (2012) Article DOI: 10.1021/jm201352k BindingDB Entry DOI: 10.7270/Q21N825K
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350603 (CHEMBL1812921) Show SMILES CN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H22N4O4/c1-24-11-13-25(14-12-24)21(18(26)22-20(28)23-19(21)27)15-7-9-17(10-8-15)29-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,22,23,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50303951 (2-(Ethylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-d...) Show SMILES CCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1O |r| Show InChI InChI=1S/C16H19NO7/c1-2-17-16(20)24-12-8-22-13-11(7-21-14(12)13)23-15(19)9-5-3-4-6-10(9)18/h3-6,11-14,18H,2,7-8H2,1H3,(H,17,20)/t11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350613 (CHEMBL1812931) Show SMILES O=C(N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N Show InChI InChI=1S/C29H25N5O5/c30-19-20-7-9-21(10-8-20)25(35)33-15-4-16-34(18-17-33)29(26(36)31-28(38)32-27(29)37)22-11-13-24(14-12-22)39-23-5-2-1-3-6-23/h1-3,5-14H,4,15-18H2,(H2,31,32,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50388951 (CHEMBL2063433) Show SMILES OCCC1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H25N3O5/c27-15-12-16-10-13-26(14-11-16)23(20(28)24-22(30)25-21(23)29)17-6-8-19(9-7-17)31-18-4-2-1-3-5-18/h1-9,16,27H,10-15H2,(H2,24,25,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-2 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrop...				J Med Chem 55: 2154-62 (2012) Article DOI: 10.1021/jm201352k BindingDB Entry DOI: 10.7270/Q21N825K
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350599 (CHEMBL1812914) Show SMILES O=C1NC(=O)C(N2CCN(CC3CC3)CC2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H26N4O4/c29-21-24(22(30)26-23(31)25-21,28-14-12-27(13-15-28)16-17-6-7-17)18-8-10-20(11-9-18)32-19-4-2-1-3-5-19/h1-5,8-11,17H,6-7,12-16H2,(H2,25,26,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50424987 (CHEMBL2311774) Show SMILES O=C(CCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C46H46N8O10/c55-37(51-23-7-25-53(29-27-51)45(39(57)47-43(61)48-40(45)58)31-13-17-35(18-14-31)63-33-9-3-1-4-10-33)21-22-38(56)52-24-8-26-54(30-28-52)46(41(59)49-44(62)50-42(46)60)32-15-19-36(20-16-32)64-34-11-5-2-6-12-34/h1-6,9-20H,7-8,21-30H2,(H2,47,48,57,58,61)(H2,49,50,59,60,62)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay				Bioorg Med Chem Lett 23: 444-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.063 BindingDB Entry DOI: 10.7270/Q2J104H9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50253266 ((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...) Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H25NO6/c29-26(21-13-11-20(12-14-21)19-9-5-2-6-10-19)33-22-16-31-25-23(17-32-24(22)25)34-27(30)28-15-18-7-3-1-4-8-18/h1-14,22-25H,15-17H2,(H,28,30)/t22-,23+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50388951 (CHEMBL2063433) Show SMILES OCCC1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H25N3O5/c27-15-12-16-10-13-26(14-11-16)23(20(28)24-22(30)25-21(23)29)17-6-8-19(9-7-17)31-18-4-2-1-3-5-18/h1-9,16,27H,10-15H2,(H2,24,25,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-9 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrop...				J Med Chem 55: 2154-62 (2012) Article DOI: 10.1021/jm201352k BindingDB Entry DOI: 10.7270/Q21N825K
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50253266 ((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...) Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H25NO6/c29-26(21-13-11-20(12-14-21)19-9-5-2-6-10-19)33-22-16-31-25-23(17-32-24(22)25)34-27(30)28-15-18-7-3-1-4-8-18/h1-14,22-25H,15-17H2,(H,28,30)/t22-,23+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350611 (CHEMBL1812929) Show SMILES O=C(C1CC1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H26N4O5/c30-21(17-7-8-17)28-13-4-14-29(16-15-28)25(22(31)26-24(33)27-23(25)32)18-9-11-20(12-10-18)34-19-5-2-1-3-6-19/h1-3,5-6,9-12,17H,4,7-8,13-16H2,(H2,26,27,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350611 (CHEMBL1812929) Show SMILES O=C(C1CC1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H26N4O5/c30-21(17-7-8-17)28-13-4-14-29(16-15-28)25(22(31)26-24(33)27-23(25)32)18-9-11-20(12-10-18)34-19-5-2-1-3-6-19/h1-3,5-6,9-12,17H,4,7-8,13-16H2,(H2,26,27,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350615 (CHEMBL1812933) Show SMILES O=C(C1CCC1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H28N4O5/c31-22(18-6-4-7-18)29-14-5-15-30(17-16-29)26(23(32)27-25(34)28-24(26)33)19-10-12-21(13-11-19)35-20-8-2-1-3-9-20/h1-3,8-13,18H,4-7,14-17H2,(H2,27,28,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50424995 (CHEMBL2311772) Show SMILES CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-2-7-21(30)28-14-6-15-29(17-16-28)25(22(31)26-24(33)27-23(25)32)18-10-12-20(13-11-18)34-19-8-4-3-5-9-19/h3-5,8-13H,2,6-7,14-17H2,1H3,(H2,26,27,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay				Bioorg Med Chem Lett 23: 444-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.063 BindingDB Entry DOI: 10.7270/Q2J104H9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350602 (CHEMBL1812920) Show SMILES CC(=O)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H22N4O5/c1-15(27)25-11-13-26(14-12-25)22(19(28)23-21(30)24-20(22)29)16-7-9-18(10-8-16)31-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H2,23,24,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350615 (CHEMBL1812933) Show SMILES O=C(C1CCC1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H28N4O5/c31-22(18-6-4-7-18)29-14-5-15-30(17-16-29)26(23(32)27-25(34)28-24(26)33)19-10-12-21(13-11-19)35-20-8-2-1-3-9-20/h1-3,8-13,18H,4-7,14-17H2,(H2,27,28,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350600 (CHEMBL1812915) Show SMILES O=C(C1CC1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O5/c29-20(16-6-7-16)27-12-14-28(15-13-27)24(21(30)25-23(32)26-22(24)31)17-8-10-19(11-9-17)33-18-4-2-1-3-5-18/h1-5,8-11,16H,6-7,12-15H2,(H2,25,26,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50388949 (CHEMBL2063518) Show SMILES OCC1CCCN(C1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H23N3O5/c26-14-15-5-4-12-25(13-15)22(19(27)23-21(29)24-20(22)28)16-8-10-18(11-9-16)30-17-6-2-1-3-7-17/h1-3,6-11,15,26H,4-5,12-14H2,(H2,23,24,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-2 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrop...				J Med Chem 55: 2154-62 (2012) Article DOI: 10.1021/jm201352k BindingDB Entry DOI: 10.7270/Q21N825K
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350594 (CHEMBL1812961) Show SMILES Cc1cc(NS(=O)(=O)c2cccc(c2)C(=O)N2CCCN(CC2)C2(C(=O)NC(=O)NC2=O)c2ccc(Oc3ccccc3)cc2)no1 Show InChI InChI=1S/C32H30N6O8S/c1-21-19-27(35-46-21)36-47(43,44)26-10-5-7-22(20-26)28(39)37-15-6-16-38(18-17-37)32(29(40)33-31(42)34-30(32)41)23-11-13-25(14-12-23)45-24-8-3-2-4-9-24/h2-5,7-14,19-20H,6,15-18H2,1H3,(H,35,36)(H2,33,34,40,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50303941 (2-(Benzylaminocarbonyloxy-)5-O-(m-hydroxybenzoyl)-...) Show SMILES Oc1cccc(c1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-15-8-4-7-14(9-15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-5-2-1-3-6-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350603 (CHEMBL1812921) Show SMILES CN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H22N4O4/c1-24-11-13-25(14-12-24)21(18(26)22-20(28)23-19(21)27)15-7-9-17(10-8-15)29-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,22,23,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350602 (CHEMBL1812920) Show SMILES CC(=O)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H22N4O5/c1-15(27)25-11-13-26(14-12-25)22(19(28)23-21(30)24-20(22)29)16-7-9-18(10-8-16)31-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H2,23,24,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350612 (CHEMBL1812930) Show SMILES O=C(N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)c1cccs1 Show InChI InChI=1S/C26H24N4O5S/c31-22(21-8-4-17-36-21)29-13-5-14-30(16-15-29)26(23(32)27-25(34)28-24(26)33)18-9-11-20(12-10-18)35-19-6-2-1-3-7-19/h1-4,6-12,17H,5,13-16H2,(H2,27,28,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50303943 (2-(Benzylaminocarbonyloxy-)5-O-(o-nitro-benzoyl)-1...) Show SMILES [O-][N+](=O)c1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H20N2O8/c24-20(14-8-4-5-9-15(14)23(26)27)30-16-11-28-19-17(12-29-18(16)19)31-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50350612 (CHEMBL1812930) Show SMILES O=C(N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)c1cccs1 Show InChI InChI=1S/C26H24N4O5S/c31-22(21-8-4-17-36-21)29-13-5-14-30(16-15-29)26(23(32)27-25(34)28-24(26)33)18-9-11-20(12-10-18)35-19-6-2-1-3-7-19/h1-4,6-12,17H,5,13-16H2,(H2,27,28,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350594 (CHEMBL1812961) Show SMILES Cc1cc(NS(=O)(=O)c2cccc(c2)C(=O)N2CCCN(CC2)C2(C(=O)NC(=O)NC2=O)c2ccc(Oc3ccccc3)cc2)no1 Show InChI InChI=1S/C32H30N6O8S/c1-21-19-27(35-46-21)36-47(43,44)26-10-5-7-22(20-26)28(39)37-15-6-16-38(18-17-37)32(29(40)33-31(42)34-30(32)41)23-11-13-25(14-12-23)45-24-8-3-2-4-9-24/h2-5,7-14,19-20H,6,15-18H2,1H3,(H,35,36)(H2,33,34,40,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50424995 (CHEMBL2311772) Show SMILES CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-2-7-21(30)28-14-6-15-29(17-16-28)25(22(31)26-24(33)27-23(25)32)18-10-12-20(13-11-18)34-19-8-4-3-5-9-19/h3-5,8-13H,2,6-7,14-17H2,1H3,(H2,26,27,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay				Bioorg Med Chem Lett 23: 444-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.063 BindingDB Entry DOI: 10.7270/Q2J104H9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350605 (CHEMBL1812923) Show SMILES O=C1NC(=O)C(N2CCCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H28N4O4/c33-25-28(26(34)30-27(35)29-25,22-12-14-24(15-13-22)36-23-10-5-2-6-11-23)32-17-7-16-31(18-19-32)20-21-8-3-1-4-9-21/h1-6,8-15H,7,16-20H2,(H2,29,30,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350632 (CHEMBL1812950) Show SMILES Clc1cccc(Cl)c1C(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H24Cl2N4O5/c29-21-8-4-9-22(30)23(21)24(35)33-14-5-15-34(17-16-33)28(25(36)31-27(38)32-26(28)37)18-10-12-20(13-11-18)39-19-6-2-1-3-7-19/h1-4,6-13H,5,14-17H2,(H2,31,32,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50424985 (CHEMBL2311776) Show SMILES O=C(CCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C48H50N8O10/c57-39(53-25-9-27-55(31-29-53)47(41(59)49-45(63)50-42(47)60)33-17-21-37(22-18-33)65-35-11-3-1-4-12-35)15-7-8-16-40(58)54-26-10-28-56(32-30-54)48(43(61)51-46(64)52-44(48)62)34-19-23-38(24-20-34)66-36-13-5-2-6-14-36/h1-6,11-14,17-24H,7-10,15-16,25-32H2,(H2,49,50,59,60,63)(H2,51,52,61,62,64)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay				Bioorg Med Chem Lett 23: 444-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.063 BindingDB Entry DOI: 10.7270/Q2J104H9
					More data for this Ligand-Target Pair

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