Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'pochetti' and Initial = 'g'   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM12072 ((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O |r| Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM12075 ((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r| Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM12072 ((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O |r| Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM12072 ((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O |r| Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM12074 ((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r| Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54.9	-41.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	74	-40.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Consiglio Nazionale delle Ricerche					Assay Description The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...				J Med Chem 55: 37-54 (2012) Article DOI: 10.1021/jm201306q BindingDB Entry DOI: 10.7270/Q23N24JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28762 ((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	88	-39.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Consiglio Nazionale delle Ricerche					Assay Description The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28762 ((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...				J Med Chem 55: 37-54 (2012) Article DOI: 10.1021/jm201306q BindingDB Entry DOI: 10.7270/Q23N24JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil collagenase (Homo sapiens (Human))	BDBM12073 ((S)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O |r| Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	700	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28763 ((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	971	-34.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Consiglio Nazionale delle Ricerche					Assay Description The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...				J Biol Chem 282: 17314-24 (2007) Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28763 ((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...) Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	971	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Tumori"Giovanni Paolo II" Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...				J Med Chem 55: 37-54 (2012) Article DOI: 10.1021/jm201306q BindingDB Entry DOI: 10.7270/Q23N24JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM12073 ((S)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O |r| Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+3	-33.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM8485 ((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/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	n/a	n/a	n/a	n/a	7.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM12076 ((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM12075 ((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r| Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM8485 ((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/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	n/a	n/a	n/a	n/a	6.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM12074 ((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r| Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as displacement of SMRT incubated for 16 hrs by luciferase reporter...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01555 BindingDB Entry DOI: 10.7270/Q20V8HGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM12076 ((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	6.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	<25	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	<25	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as displacement of NCoR incubated for 16 hrs by luciferase reporter...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01555 BindingDB Entry DOI: 10.7270/Q20V8HGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.0	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM12077 ((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/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	450	n/a	n/a	n/a	n/a	7.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM12077 ((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/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	810	n/a	n/a	n/a	n/a	6.0	25
Istituto di Cristallografia					Assay Description Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...				J Med Chem 49: 923-31 (2006) Article DOI: 10.1021/jm050787+ BindingDB Entry DOI: 10.7270/Q2348HM7
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50554669 (CHEMBL4743677) Show SMILES CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	956	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as displacement of NCoR incubated for 16 hrs by luciferase reporter...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01555 BindingDB Entry DOI: 10.7270/Q20V8HGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50554669 (CHEMBL4743677) Show SMILES CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as displacement of SMRT incubated for 16 hrs by luciferase reporter...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01555 BindingDB Entry DOI: 10.7270/Q20V8HGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	6.0	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Universita degli Studi					Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...				J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50175780 (CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...) Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP2				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50100898 (CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...) Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)	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	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP3				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50100898 (CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...) Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)	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	>1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP2				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50100898 (CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...) Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)	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	>1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP8				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair				3D Structure (docked)
Stromelysin-1 (Homo sapiens (Human))	BDBM50175780 (CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...) Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP3				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50175782 (1-(4-phenoxyphenethyl)-3-hydroxy-1-methylurea | CH...) Show SMILES CN(CCc1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C16H18N2O3/c1-18(16(19)17-20)12-11-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,17,19)	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	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP3				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50175781 (1-(4-phenoxyphenethyl)-3-hydroxyurea | CHEMBL19792...) Show SMILES ONC(=O)NCCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C15H16N2O3/c18-15(17-19)16-11-10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,19H,10-11H2,(H2,16,17,18)	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	>3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibitory activity against MMP2				Bioorg Med Chem Lett 16: 20-4 (2005) Article DOI: 10.1016/j.bmcl.2005.09.057 BindingDB Entry DOI: 10.7270/Q2K9372X
					More data for this Ligand-Target Pair

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