Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'montanari' and Initial = 'r'   

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
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	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	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))	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)
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
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
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
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-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
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
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
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
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))	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-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
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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28760 ((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	5.93E+3	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					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	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28760 ((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM28760 ((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche					Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...				J Med Chem 51: 7768-76 (2008) Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50299112 ((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/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	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50299109 ((2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/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	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299109 ((2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299112 ((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299109 ((2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					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	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299110 (CHEMBL578860 | rac-2-(4-Phenoxy-phenoxy)-3-phenyl-...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H18O4/c22-21(23)20(15-16-7-3-1-4-8-16)25-19-13-11-18(12-14-19)24-17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299111 (CHEMBL572565 | rac-2-(4-Benzyloxy-phenoxy)-3-pheny...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C22H20O4/c23-22(24)21(15-17-7-3-1-4-8-17)26-20-13-11-19(12-14-20)25-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	107	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299113 (CHEMBL572795 | rac-2-(4-cis-Styryl-phenoxy)-3-phen...) Show SMILES [O-]C(=O)C(Cc1ccccc1)Oc1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C23H20O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-16,22H,17H2,(H,24,25)/p-1/b12-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28759 ((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299114 (CHEMBL573015 | rac-2-(4-Phenylthiomethyl-phenoxy)-...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1 Show InChI InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)16-26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299112 ((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50299112 ((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/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	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50299114 (CHEMBL573015 | rac-2-(4-Phenylthiomethyl-phenoxy)-...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1 Show InChI InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)16-26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,23,24)	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	n/a	n/a	400	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50299115 (CHEMBL573252 | rac-2-(4-Benzylthio-phenoxy)-3-phen...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1 Show InChI InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-11-13-20(14-12-19)26-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	488	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50299116 (CHEMBL574606 | rac-2-(4-Phenylethynyl-phenoxy)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C23H18O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,17H2,(H,24,25)	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	n/a	n/a	540	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
					More data for this Ligand-Target Pair

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