Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'di francescantonio' and Initial = 't'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523895 (CHEMBL4522121) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C28H29N3O7S/c32-26(21-11-9-19(10-12-21)17-29-28(34)38-18-20-5-2-1-3-6-20)30-22-13-15-23(16-14-22)39(36,37)25-8-4-7-24(25)27(33)31-35/h1-3,5-6,9-16,24-25,35H,4,7-8,17-18H2,(H,29,34)(H,30,32)(H,31,33)/t24-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523894 (CHEMBL4535400) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H19N3O7S/c23-18(12-4-8-14(9-5-12)22(26)27)20-13-6-10-15(11-7-13)30(28,29)17-3-1-2-16(17)19(24)21-25/h4-11,16-17,25H,1-3H2,(H,20,23)(H,21,24)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0960	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523894 (CHEMBL4535400) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H19N3O7S/c23-18(12-4-8-14(9-5-12)22(26)27)20-13-6-10-15(11-7-13)30(28,29)17-3-1-2-16(17)19(24)21-25/h4-11,16-17,25H,1-3H2,(H,20,23)(H,21,24)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.122	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523891 (CHEMBL4461597) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H17Cl2NO4S/c19-15-9-6-12(10-16(15)20)11-4-7-13(8-5-11)26(24,25)17-3-1-2-14(17)18(22)21-23/h4-10,14,17,23H,1-3H2,(H,21,22)/t14-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523890 (CHEMBL4444377) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19NO4S/c22-20(21-23)18-7-4-8-19(18)26(24,25)17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-14,18-19,23H,4,7-8H2,(H,21,22)/t18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523891 (CHEMBL4461597) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H17Cl2NO4S/c19-15-9-6-12(10-16(15)20)11-4-7-13(8-5-11)26(24,25)17-3-1-2-14(17)18(22)21-23/h4-10,14,17,23H,1-3H2,(H,21,22)/t14-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523890 (CHEMBL4444377) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19NO4S/c22-20(21-23)18-7-4-8-19(18)26(24,25)17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-14,18-19,23H,4,7-8H2,(H,21,22)/t18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523897 (CHEMBL4531635) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H22N2O6S/c23-19(22-25)17-7-4-8-18(17)29(26,27)16-11-9-15(10-12-16)21-20(24)28-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,24)(H,22,23)/t17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523896 (CHEMBL4585478) Show SMILES COc1ccc(cc1)S(=O)(=O)C1CCC[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C13H17NO5S/c1-19-9-5-7-10(8-6-9)20(17,18)12-4-2-3-11(12)13(15)14-16/h5-8,11-12,16H,2-4H2,1H3,(H,14,15)/t11-,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523893 (CHEMBL4448558) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C19H20N2O5S/c22-18(13-5-2-1-3-6-13)20-14-9-11-15(12-10-14)27(25,26)17-8-4-7-16(17)19(23)21-24/h1-3,5-6,9-12,16-17,24H,4,7-8H2,(H,20,22)(H,21,23)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523896 (CHEMBL4585478) Show SMILES COc1ccc(cc1)S(=O)(=O)C1CCC[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C13H17NO5S/c1-19-9-5-7-10(8-6-9)20(17,18)12-4-2-3-11(12)13(15)14-16/h5-8,11-12,16H,2-4H2,1H3,(H,14,15)/t11-,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523895 (CHEMBL4522121) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C28H29N3O7S/c32-26(21-11-9-19(10-12-21)17-29-28(34)38-18-20-5-2-1-3-6-20)30-22-13-15-23(16-14-22)39(36,37)25-8-4-7-24(25)27(33)31-35/h1-3,5-6,9-16,24-25,35H,4,7-8,17-18H2,(H,29,34)(H,30,32)(H,31,33)/t24-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523893 (CHEMBL4448558) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C19H20N2O5S/c22-18(13-5-2-1-3-6-13)20-14-9-11-15(12-10-14)27(25,26)17-8-4-7-16(17)19(23)21-24/h1-3,5-6,9-12,16-17,24H,4,7-8H2,(H,20,22)(H,21,23)/t16-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523892 (CHEMBL4531703) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H13Cl2NO4S/c13-9-5-4-7(6-10(9)14)20(18,19)11-3-1-2-8(11)12(16)15-17/h4-6,8,11,17H,1-3H2,(H,15,16)/t8-,11?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	492	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523897 (CHEMBL4531635) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H22N2O6S/c23-19(22-25)17-7-4-8-18(17)29(26,27)16-11-9-15(10-12-16)21-20(24)28-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,24)(H,22,23)/t17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523892 (CHEMBL4531703) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H13Cl2NO4S/c13-9-5-4-7(6-10(9)14)20(18,19)11-3-1-2-8(11)12(16)15-17/h4-6,8,11,17H,1-3H2,(H,15,16)/t8-,11?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043 BindingDB Entry DOI: 10.7270/Q2RR22PK
					More data for this Ligand-Target Pair