Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'foley' and Initial = 'lh'   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099121 (5-Benzyloxymethyl-5-(4-phenoxy-phenyl)-pyrimidine-...) Show SMILES O=C1NC(=O)C(COCc2ccccc2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H20N2O5/c27-21-24(22(28)26-23(29)25-21,16-30-15-17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099123 (5-Hexyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trio...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)16-11-13-18(14-12-16)28-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099121 (5-Benzyloxymethyl-5-(4-phenoxy-phenyl)-pyrimidine-...) Show SMILES O=C1NC(=O)C(COCc2ccccc2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H20N2O5/c27-21-24(22(28)26-23(29)25-21,16-30-15-17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099123 (5-Hexyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trio...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)16-11-13-18(14-12-16)28-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099120 (5-(2-Hydroxy-ethyl)-5-(4-phenoxy-phenyl)-pyrimidin...) Show SMILES OCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H16N2O5/c21-11-10-18(15(22)19-17(24)20-16(18)23)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-9,21H,10-11H2,(H2,19,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of collagenase-3, Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50099123 (5-Hexyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trio...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)16-11-13-18(14-12-16)28-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of collagenase-3, Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human neutrophil collagenase-I, Matrix metalloproteinase-8				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099120 (5-(2-Hydroxy-ethyl)-5-(4-phenoxy-phenyl)-pyrimidin...) Show SMILES OCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H16N2O5/c21-11-10-18(15(22)19-17(24)20-16(18)23)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-9,21H,10-11H2,(H2,19,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50099123 (5-Hexyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trio...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)16-11-13-18(14-12-16)28-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human neutrophil collagenase-I, Matrix metalloproteinase-8				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099117 (5-Methyl-5-(4-octyloxy-benzyl)-pyrimidine-2,4,6-tr...) Show SMILES CCCCCCCCOc1ccc(CC2(C)C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H28N2O4/c1-3-4-5-6-7-8-13-26-16-11-9-15(10-12-16)14-20(2)17(23)21-19(25)22-18(20)24/h9-12H,3-8,13-14H2,1-2H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214016 (CHEMBL243342 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cc1nc(N)sc1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C27H26FN7O4S2/c1-15-25(40-26(29)30-15)41(38,39)33-19-10-8-16(9-11-19)12-21-31-22-23(32-21)34(13-17-6-7-17)27(37)35(24(22)36)14-18-4-2-3-5-20(18)28/h2-5,8-11,17,33H,6-7,12-14H2,1H3,(H2,29,30)(H,31,32)	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214007 (CHEMBL394621 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C28H28FN7O4S/c1-17-23(16-34(2)32-17)41(39,40)33-21-11-9-18(10-12-21)13-24-30-25-26(31-24)35(14-19-7-8-19)28(38)36(27(25)37)15-20-5-3-4-6-22(20)29/h3-6,9-12,16,19,33H,7-8,13-15H2,1-2H3,(H,30,31)	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214001 (CHEMBL389494 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C28H27ClFN7O4S/c1-16-24(25(29)35(2)33-16)42(40,41)34-20-11-9-17(10-12-20)13-22-31-23-26(32-22)36(14-18-7-8-18)28(39)37(27(23)38)15-19-5-3-4-6-21(19)30/h3-6,9-12,18,34H,7-8,13-15H2,1-2H3,(H,31,32)	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	290	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099125 (5-Hexyl-5-phenyl-pyrimidine-2,4,6-trione | CHEMBL1...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccccc1 Show InChI InChI=1S/C16H20N2O3/c1-2-3-4-8-11-16(12-9-6-5-7-10-12)13(19)17-15(21)18-14(16)20/h5-7,9-10H,2-4,8,11H2,1H3,(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214008 (CHEMBL243343 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cc1nc(cn1C)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C28H28FN7O4S/c1-17-30-24(16-34(17)2)41(39,40)33-21-11-9-18(10-12-21)13-23-31-25-26(32-23)35(14-19-7-8-19)28(38)36(27(25)37)15-20-5-3-4-6-22(20)29/h3-6,9-12,16,19,33H,7-8,13-15H2,1-2H3,(H,31,32)	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214003 (CHEMBL243134 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C27H26FN7O4S/c1-33-16-21(13-29-33)40(38,39)32-20-10-8-17(9-11-20)12-23-30-24-25(31-23)34(14-18-6-7-18)27(37)35(26(24)36)15-19-4-2-3-5-22(19)28/h2-5,8-11,13,16,18,32H,6-7,12,14-15H2,1H3,(H,30,31)	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	390	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214000 (CHEMBL243180 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Fc1ccccc1Cn1c(=O)n(CC2CC2)c2nc(Cc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3)[nH]c2c1=O Show InChI InChI=1S/C32H27FN6O4S/c33-25-8-2-1-5-23(25)19-39-31(40)29-30(38(32(39)41)18-21-10-11-21)36-27(35-29)17-20-12-14-24(15-13-20)37-44(42,43)26-9-3-6-22-7-4-16-34-28(22)26/h1-9,12-16,21,37H,10-11,17-19H2,(H,35,36)	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099117 (5-Methyl-5-(4-octyloxy-benzyl)-pyrimidine-2,4,6-tr...) Show SMILES CCCCCCCCOc1ccc(CC2(C)C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H28N2O4/c1-3-4-5-6-7-8-13-26-16-11-9-15(10-12-16)14-20(2)17(23)21-19(25)22-18(20)24/h9-12H,3-8,13-14H2,1-2H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214004 (CHEMBL243116 | N-(4-((1-(2-fluorobenzyl)-3-butyl-2...) Show SMILES CCCCn1c2nc(Cc3ccc(NS(=O)(=O)c4c(C)nn(C)c4Cl)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O Show InChI InChI=1S/C28H29ClFN7O4S/c1-4-5-14-36-26-23(27(38)37(28(36)39)16-19-8-6-7-9-21(19)30)31-22(32-26)15-18-10-12-20(13-11-18)34-42(40,41)24-17(2)33-35(3)25(24)29/h6-13,34H,4-5,14-16H2,1-3H3,(H,31,32)	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	540	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214014 (CHEMBL245018 | N-(4-((1-(2-fluorobenzyl)-3-butyl-2...) Show SMILES CCCCn1c2nc(Cc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O Show InChI InChI=1S/C27H28FN7O4S/c1-3-4-13-34-25-24(26(36)35(27(34)37)15-19-7-5-6-8-21(19)28)30-22(31-25)14-18-9-11-20(12-10-18)32-40(38,39)23-16-33(2)17-29-23/h5-12,16-17,32H,3-4,13-15H2,1-2H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214010 (CHEMBL244165 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES CC(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C25H24FN5O3/c1-15(32)27-19-10-8-16(9-11-19)12-21-28-22-23(29-21)30(13-17-6-7-17)25(34)31(24(22)33)14-18-4-2-3-5-20(18)26/h2-5,8-11,17H,6-7,12-14H2,1H3,(H,27,32)(H,28,29)	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	690	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099119 (5-Biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione | ...) Show SMILES CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	696	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214012 (CHEMBL394368 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C28H27FN6O5S/c1-16-25(17(2)40-32-16)41(38,39)33-21-11-9-18(10-12-21)13-23-30-24-26(31-23)34(14-19-7-8-19)28(37)35(27(24)36)15-20-5-3-4-6-22(20)29/h3-6,9-12,19,33H,7-8,13-15H2,1-2H3,(H,30,31)	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	790	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50099116 (5-Biphenyl-4-yl-5-hexyl-pyrimidine-2,4,6-trione | ...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	863	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase B, matrix metalloproteinase-9				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099116 (5-Biphenyl-4-yl-5-hexyl-pyrimidine-2,4,6-trione | ...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	868	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099119 (5-Biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione | ...) Show SMILES CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	898	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50099121 (5-Benzyloxymethyl-5-(4-phenoxy-phenyl)-pyrimidine-...) Show SMILES O=C1NC(=O)C(COCc2ccccc2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H20N2O5/c27-21-24(22(28)26-23(29)25-21,16-30-15-17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Stromelysin, matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214009 (3-(cyclopropylmethyl)-8-({4-[(dimethylsulfamoyl)am...) Show SMILES CN(C)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C25H27FN6O4S/c1-30(2)37(35,36)29-19-11-9-16(10-12-19)13-21-27-22-23(28-21)31(14-17-7-8-17)25(34)32(24(22)33)15-18-5-3-4-6-20(18)26/h3-6,9-12,17,29H,7-8,13-15H2,1-2H3,(H,27,28)	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	960	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50099117 (5-Methyl-5-(4-octyloxy-benzyl)-pyrimidine-2,4,6-tr...) Show SMILES CCCCCCCCOc1ccc(CC2(C)C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H28N2O4/c1-3-4-5-6-7-8-13-26-16-11-9-15(10-12-16)14-20(2)17(23)21-19(25)22-18(20)24/h9-12H,3-8,13-14H2,1-2H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Stromelysin, matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214002 (CHEMBL244590 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES CS(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C24H24FN5O4S/c1-35(33,34)28-18-10-8-15(9-11-18)12-20-26-21-22(27-20)29(13-16-6-7-16)24(32)30(23(21)31)14-17-4-2-3-5-19(17)25/h2-5,8-11,16,28H,6-7,12-14H2,1H3,(H,26,27)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50099125 (5-Hexyl-5-phenyl-pyrimidine-2,4,6-trione | CHEMBL1...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccccc1 Show InChI InChI=1S/C16H20N2O3/c1-2-3-4-8-11-16(12-9-6-5-7-10-12)13(19)17-15(21)18-14(16)20/h5-7,9-10H,2-4,8,11H2,1H3,(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214015 (1-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-(cyclopropy...) Show SMILES Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C23H22FN5O2/c24-18-4-2-1-3-16(18)13-29-22(30)20-21(28(23(29)31)12-15-5-6-15)27-19(26-20)11-14-7-9-17(25)10-8-14/h1-4,7-10,15H,5-6,11-13,25H2,(H,26,27)	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	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214006 (CHEMBL397513 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Fc1ccccc1Cn1c(=O)n(CC2CC2)c2nc(Cc3ccc(NC(=O)C(F)(F)F)cc3)[nH]c2c1=O Show InChI InChI=1S/C25H21F4N5O3/c26-18-4-2-1-3-16(18)13-34-22(35)20-21(33(24(34)37)12-15-5-6-15)32-19(31-20)11-14-7-9-17(10-8-14)30-23(36)25(27,28)29/h1-4,7-10,15H,5-6,11-13H2,(H,30,36)(H,31,32)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (Homo sapiens (Human))	BDBM50214013 (CHEMBL242486 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Fc1ccccc1Cn1c(=O)n(CC2CC2)c2nc(Cc3ccc(NS(=O)(=O)c4cccnc4)cc3)[nH]c2c1=O Show InChI InChI=1S/C28H25FN6O4S/c29-23-6-2-1-4-20(23)17-35-27(36)25-26(34(28(35)37)16-19-7-8-19)32-24(31-25)14-18-9-11-21(12-10-18)33-40(38,39)22-5-3-13-30-15-22/h1-6,9-13,15,19,33H,7-8,14,16-17H2,(H,31,32)	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	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099123 (5-Hexyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trio...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)16-11-13-18(14-12-16)28-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099117 (5-Methyl-5-(4-octyloxy-benzyl)-pyrimidine-2,4,6-tr...) Show SMILES CCCCCCCCOc1ccc(CC2(C)C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H28N2O4/c1-3-4-5-6-7-8-13-26-16-11-9-15(10-12-16)14-20(2)17(23)21-19(25)22-18(20)24/h9-12H,3-8,13-14H2,1-2H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099119 (5-Biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione | ...) Show SMILES CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099126 (5-(4-Phenoxy-phenyl)-pyrimidine-2,4,6-trione | CHE...) Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H12N2O4/c19-14-13(15(20)18-16(21)17-14)10-6-8-12(9-7-10)22-11-4-2-1-3-5-11/h1-9H,(H3,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099124 (1,5-Dimethyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6...) Show SMILES CN1C(=O)NC(=O)C(C)(C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20(2)16(18)22)12-8-10-14(11-9-12)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099120 (5-(2-Hydroxy-ethyl)-5-(4-phenoxy-phenyl)-pyrimidin...) Show SMILES OCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H16N2O5/c21-11-10-18(15(22)19-17(24)20-16(18)23)12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-9,21H,10-11H2,(H2,19,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099125 (5-Hexyl-5-phenyl-pyrimidine-2,4,6-trione | CHEMBL1...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccccc1 Show InChI InChI=1S/C16H20N2O3/c1-2-3-4-8-11-16(12-9-6-5-7-10-12)13(19)17-15(21)18-14(16)20/h5-7,9-10H,2-4,8,11H2,1H3,(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50099118 (5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...) Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Stromelysin, matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50099121 (5-Benzyloxymethyl-5-(4-phenoxy-phenyl)-pyrimidine-...) Show SMILES O=C1NC(=O)C(COCc2ccccc2)(C(=O)N1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H20N2O5/c27-21-24(22(28)26-23(29)25-21,16-30-15-17-7-3-1-4-8-17)18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099122 (5-Biphenyl-4-yl-5-hexyl-2-thioxo-dihydro-pyrimidin...) Show SMILES CCCCCCC1(C(=O)NC(=S)NC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H24N2O2S/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50099116 (5-Biphenyl-4-yl-5-hexyl-pyrimidine-2,4,6-trione | ...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50099123 (5-Hexyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trio...) Show SMILES CCCCCCC1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-8-15-22(19(25)23-21(27)24-20(22)26)16-11-13-18(14-12-16)28-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15H2,1H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Stromelysin, matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair

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