Compile Data Set for Download or QSAR

Found 1228 hits with Last Name = 'tortorella' and Initial = 'p'   

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	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))	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)
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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50031795 ((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	0.0460	n/a	n/a	n/a	n/a	n/a	n/a
Università G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP8				Eur J Med Chem 43: 1008-14 (2008) Article DOI: 10.1016/j.ejmech.2007.07.002 BindingDB Entry DOI: 10.7270/Q23T9H1W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198038 (CHEMBL227824 | [(R)-1-(4'-ethoxy-biphenyl-4-sulfon...) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C18H24NO6PS/c1-4-25-16-9-5-14(6-10-16)15-7-11-17(12-8-15)27(23,24)19-18(13(2)3)26(20,21)22/h5-13,18-19H,4H2,1-3H3,(H2,20,21,22)/t18-/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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50031795 ((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Università G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9				Eur J Med Chem 43: 1008-14 (2008) Article DOI: 10.1016/j.ejmech.2007.07.002 BindingDB Entry DOI: 10.7270/Q23T9H1W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198033 (CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50198038 (CHEMBL227824 | [(R)-1-(4'-ethoxy-biphenyl-4-sulfon...) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C18H24NO6PS/c1-4-25-16-9-5-14(6-10-16)15-7-11-17(12-8-15)27(23,24)19-18(13(2)3)26(20,21)22/h5-13,18-19H,4H2,1-3H3,(H2,20,21,22)/t18-/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	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198033 (CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198035 (CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain intact neurons assessed as reduction in [3H]anandamide hydrolysis using [3H]anandamide as substrate preincubat...				J Med Chem 62: 10995-11003 (2019) Article DOI: 10.1021/acs.jmedchem.9b00885 BindingDB Entry DOI: 10.7270/Q26113K2
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50198038 (CHEMBL227824 | [(R)-1-(4'-ethoxy-biphenyl-4-sulfon...) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C18H24NO6PS/c1-4-25-16-9-5-14(6-10-16)15-7-11-17(12-8-15)27(23,24)19-18(13(2)3)26(20,21)22/h5-13,18-19H,4H2,1-3H3,(H2,20,21,22)/t18-/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	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50031795 ((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Università G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2				Eur J Med Chem 43: 1008-14 (2008) Article DOI: 10.1016/j.ejmech.2007.07.002 BindingDB Entry DOI: 10.7270/Q23T9H1W
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50593777 (CHEMBL5185868) Show SMILES [O-][N+](=O)c1cc(Cl)ccc1OCC(=O)NCCN1CCN(Cc2ccccc2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114358 BindingDB Entry DOI: 10.7270/Q2JS9VF3
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198034 (CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198039 (CHEMBL374377 | [(R)-1-(4'-fluoro-biphenyl-4-sulfon...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19FNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
Collagenase 3 (Homo sapiens (Human))	BDBM50198038 (CHEMBL227824 | [(R)-1-(4'-ethoxy-biphenyl-4-sulfon...) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C18H24NO6PS/c1-4-25-16-9-5-14(6-10-16)15-7-11-17(12-8-15)27(23,24)19-18(13(2)3)26(20,21)22/h5-13,18-19H,4H2,1-3H3,(H2,20,21,22)/t18-/m1/s1	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198030 (CHEMBL228188 | [(R)-1-(3'-chloro-biphenyl-4-sulfon...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-8-6-12(7-9-15)13-4-3-5-14(17)10-13/h3-11,16,18H,1-2H3,(H2,19,20,21)/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
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	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198031 (CHEMBL227598 | [(R)-1-(4'-isopropoxy-biphenyl-4-su...) Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C19H26NO6PS/c1-13(2)19(27(21,22)23)20-28(24,25)18-11-7-16(8-12-18)15-5-9-17(10-6-15)26-14(3)4/h5-14,19-20H,1-4H3,(H2,21,22,23)/t19-/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50198031 (CHEMBL227598 | [(R)-1-(4'-isopropoxy-biphenyl-4-su...) Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C19H26NO6PS/c1-13(2)19(27(21,22)23)20-28(24,25)18-11-7-16(8-12-18)15-5-9-17(10-6-15)26-14(3)4/h5-14,19-20H,1-4H3,(H2,21,22,23)/t19-/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198040 (CHEMBL389898 | [(R)-2-methyl-1-(4'-pyrrolidin-1-yl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)N1CCCC1)P(O)(O)=O Show InChI InChI=1S/C20H27N2O5PS/c1-15(2)20(28(23,24)25)21-29(26,27)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-13-3-4-14-22/h5-12,15,20-21H,3-4,13-14H2,1-2H3,(H2,23,24,25)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50198033 (CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50198033 (CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198037 (CHEMBL228187 | [(R)-1-(3'-fluoro-biphenyl-4-sulfon...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)P(O)(O)=O Show InChI InChI=1S/C16H19FNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-8-6-12(7-9-15)13-4-3-5-14(17)10-13/h3-11,16,18H,1-2H3,(H2,19,20,21)/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)
Collagenase 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50593778 (CHEMBL5189408) Show SMILES [O-][N+](=O)c1ccc(F)cc1OCC(=O)NCCN1CCN(Cc2ccccc2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114358 BindingDB Entry DOI: 10.7270/Q2JS9VF3
					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
Collagenase 3 (Homo sapiens (Human))	BDBM50198033 (CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50198033 (CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50198033 (CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50198031 (CHEMBL227598 | [(R)-1-(4'-isopropoxy-biphenyl-4-su...) Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C19H26NO6PS/c1-13(2)19(27(21,22)23)20-28(24,25)18-11-7-16(8-12-18)15-5-9-17(10-6-15)26-14(3)4/h5-14,19-20H,1-4H3,(H2,21,22,23)/t19-/m1/s1	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain membranes assessed as reduction in [3H]anandamide hydrolysis using [3H]anandamide as substrate preincubated fo...				J Med Chem 62: 10995-11003 (2019) Article DOI: 10.1021/acs.jmedchem.9b00885 BindingDB Entry DOI: 10.7270/Q26113K2
					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
Stromelysin-1 (Homo sapiens (Human))	BDBM50198040 (CHEMBL389898 | [(R)-2-methyl-1-(4'-pyrrolidin-1-yl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)N1CCCC1)P(O)(O)=O Show InChI InChI=1S/C20H27N2O5PS/c1-15(2)20(28(23,24)25)21-29(26,27)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-13-3-4-14-22/h5-12,15,20-21H,3-4,13-14H2,1-2H3,(H2,23,24,25)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50198034 (CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1	PDB MMDB NCI pathway 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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair

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