Compile Data Set for Download or QSAR

Found 761 hits with Last Name = 'peng' and Initial = 'sx'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095584 (4-(2-Benzyloxy-3-phenyl-propionylamino)-1-(4-metho...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](Cc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C28H31N3O7S/c1-37-23-12-14-24(15-13-23)39(35,36)31-18-22(17-25(31)27(32)30-34)29-28(33)26(16-20-8-4-2-5-9-20)38-19-21-10-6-3-7-11-21/h2-15,22,25-26,34H,16-19H2,1H3,(H,29,33)(H,30,32)/t22-,25+,26-/m0/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095581 (4-(2-Benzyloxy-propionylamino)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](C)OCc1ccccc1 Show InChI InChI=1S/C22H27N3O7S/c1-15(32-14-16-6-4-3-5-7-16)21(26)23-17-12-20(22(27)24-28)25(13-17)33(29,30)19-10-8-18(31-2)9-11-19/h3-11,15,17,20,28H,12-14H2,1-2H3,(H,23,26)(H,24,27)/t15-,17-,20+/m0/s1	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095573 (4-(3-Methyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-prop...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O7S/c1-3-8-29-13-4-6-14(7-5-13)30(27,28)21-10-12(9-15(21)17(24)19-26)22-16(23)11-20(2)18(22)25/h4-7,11-12,15,23,26H,3,8-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095538 (1-(4-Butoxy-benzenesulfonyl)-4-(3-methyl-2,5-dioxo...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C19H26N4O7S/c1-3-4-9-30-14-5-7-15(8-6-14)31(28,29)22-11-13(10-16(22)18(25)20-27)23-17(24)12-21(2)19(23)26/h5-8,12-13,16,24,27H,3-4,9-11H2,1-2H3,(H,20,25)/t13-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095576 (1-(4-Butoxy-benzenesulfonyl)-4-(2,5-dioxo-3-propyl...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CCC)c1=O Show InChI InChI=1S/C21H30N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h6-9,14-15,18,26,29H,3-5,10-13H2,1-2H3,(H,22,27)/t15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095576 (1-(4-Butoxy-benzenesulfonyl)-4-(2,5-dioxo-3-propyl...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CCC)c1=O Show InChI InChI=1S/C21H30N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h6-9,14-15,18,26,29H,3-5,10-13H2,1-2H3,(H,22,27)/t15-,18+/m0/s1	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30359 (BOC-piperidinyl glycine derivative, 34) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095560 (4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-butox...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O Show InChI InChI=1S/C21H28N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h4,6-9,14-15,18,26,29H,2-3,5,10-13H2,1H3,(H,22,27)/t15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50102477 (4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...) Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095554 (4-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-1-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCS1(=O)=O Show InChI InChI=1S/C15H21N3O7S2/c1-25-12-3-5-13(6-4-12)27(23,24)18-10-11(9-14(18)15(19)16-20)17-7-2-8-26(17,21)22/h3-6,11,14,20H,2,7-10H2,1H3,(H,16,19)/t11-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095546 (4-Piperidin-1-yl-1-(4-propoxy-benzenesulfonyl)-pyr...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C19H29N3O5S/c1-2-12-27-16-6-8-17(9-7-16)28(25,26)22-14-15(13-18(22)19(23)20-24)21-10-4-3-5-11-21/h6-9,15,18,24H,2-5,10-14H2,1H3,(H,20,23)/t15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095558 (4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-propo...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O Show InChI InChI=1S/C20H26N4O7S/c1-3-9-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)32(29,30)16-7-5-15(6-8-16)31-10-4-2/h3,5-8,13-14,17,25,28H,1,4,9-12H2,2H3,(H,21,26)/t14-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50102479 (4-[Carboxy-(4'-methylsulfanyl-biphenyl-4-sulfonyla...) Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(SC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O7S2/c1-32-15-16-33-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(34-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-2				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095580 (4-(Methanesulfonyl-methyl-amino)-1-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(C)S(C)(=O)=O Show InChI InChI=1S/C14H21N3O7S2/c1-16(25(3,20)21)10-8-13(14(18)15-19)17(9-10)26(22,23)12-6-4-11(24-2)5-7-12/h4-7,10,13,19H,8-9H2,1-3H3,(H,15,18)/t10-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50102477 (4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...) Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-8				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095540 (4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50102468 (4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-2				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095579 (1-(4-Methoxy-benzenesulfonyl)-4-(3-methyl-2,5-diox...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C16H20N4O7S/c1-18-9-14(21)20(16(18)23)10-7-13(15(22)17-24)19(8-10)28(25,26)12-5-3-11(27-2)4-6-12/h3-6,9-10,13,21,24H,7-8H2,1-2H3,(H,17,22)/t10-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095541 (1-(4-Butoxy-benzenesulfonyl)-4-morpholin-4-yl-pyrr...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C19H29N3O6S/c1-2-3-10-28-16-4-6-17(7-5-16)29(25,26)22-14-15(13-18(22)19(23)20-24)21-8-11-27-12-9-21/h4-7,15,18,24H,2-3,8-14H2,1H3,(H,20,23)/t15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101725 (CHEMBL300771 | [4-(Acetyl-benzyl-amino)-cyclohexyl...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N(Cc1ccccc1)C(C)=O)C(O)=O |wD:18.19,(17.8,3.17,;16.46,3.94,;15.13,3.17,;15.14,1.61,;13.81,.84,;12.48,1.61,;12.47,3.14,;13.79,3.92,;11.15,.83,;11.15,-.71,;9.81,-1.48,;8.48,-.71,;8.48,.83,;9.81,1.6,;7.15,-1.48,;8.24,-2.57,;6.05,-2.57,;5.81,-.71,;4.46,-1.48,;4.48,-3.02,;5.81,-3.78,;5.79,-5.32,;4.46,-6.09,;3.13,-5.32,;3.13,-3.79,;4.46,-7.63,;5.79,-8.41,;5.79,-9.95,;7.12,-10.71,;7.12,-12.23,;5.79,-13.02,;4.44,-12.23,;4.44,-10.71,;3.13,-8.4,;3.13,-9.94,;1.8,-7.63,;3.13,-.71,;1.8,-1.48,;3.13,.83,)| Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-6-4-3-5-7-22)26-14-8-25(9-15-26)29(30(34)35)31-39(36,37)28-18-12-24(13-19-28)23-10-16-27(38-2)17-11-23/h3-7,10-13,16-19,25-26,29,31H,8-9,14-15,20H2,1-2H3,(H,34,35)/t25?,26?,29-/m1/s1	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50102478 (4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...) Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-2				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095540 (4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095570 (4-(3-Methyl-2,5-dioxo-imidazolidin-1-yl)-1-[4-(pyr...) Show SMILES Cn1cc(O)n([C@H]2C[C@@H](N(C2)S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C(=O)NO)c1=O Show InChI InChI=1S/C20H21N5O7S/c1-23-12-18(26)25(20(23)28)13-10-17(19(27)22-29)24(11-13)33(30,31)16-4-2-14(3-5-16)32-15-6-8-21-9-7-15/h2-9,12-13,17,26,29H,10-11H2,1H3,(H,22,27)/t13-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095578 (4-Morpholin-4-yl-1-(4-pentyl-benzenesulfonyl)-pyrr...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C20H31N3O5S/c1-2-3-4-5-16-6-8-18(9-7-16)29(26,27)23-15-17(14-19(23)20(24)21-25)22-10-12-28-13-11-22/h6-9,17,19,25H,2-5,10-15H2,1H3,(H,21,24)/t17-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50102468 (4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095593 (1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylam...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)COC Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(25,26)21-11-13(19-17(22)12-27-2)10-16(21)18(23)20-24/h5-8,13,16,24H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,23)/t13-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095547 (4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,16+/m0/s1	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095567 ((1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOX...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O Show InChI InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50101725 (CHEMBL300771 | [4-(Acetyl-benzyl-amino)-cyclohexyl...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N(Cc1ccccc1)C(C)=O)C(O)=O |wD:18.19,(17.8,3.17,;16.46,3.94,;15.13,3.17,;15.14,1.61,;13.81,.84,;12.48,1.61,;12.47,3.14,;13.79,3.92,;11.15,.83,;11.15,-.71,;9.81,-1.48,;8.48,-.71,;8.48,.83,;9.81,1.6,;7.15,-1.48,;8.24,-2.57,;6.05,-2.57,;5.81,-.71,;4.46,-1.48,;4.48,-3.02,;5.81,-3.78,;5.79,-5.32,;4.46,-6.09,;3.13,-5.32,;3.13,-3.79,;4.46,-7.63,;5.79,-8.41,;5.79,-9.95,;7.12,-10.71,;7.12,-12.23,;5.79,-13.02,;4.44,-12.23,;4.44,-10.71,;3.13,-8.4,;3.13,-9.94,;1.8,-7.63,;3.13,-.71,;1.8,-1.48,;3.13,.83,)| Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-6-4-3-5-7-22)26-14-8-25(9-15-26)29(30(34)35)31-39(36,37)28-18-12-24(13-19-28)23-10-16-27(38-2)17-11-23/h3-7,10-13,16-19,25-26,29,31H,8-9,14-15,20H2,1-2H3,(H,34,35)/t25?,26?,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095589 (1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-3-methyl...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C20H31N3O7S/c1-4-5-10-30-15-6-8-16(9-7-15)31(28,29)23-12-14(11-17(23)19(25)22-27)21-20(26)18(24)13(2)3/h6-9,13-14,17-18,24,27H,4-5,10-12H2,1-3H3,(H,21,26)(H,22,25)/t14-,17+,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095592 (4-Methanesulfonylamino-1-[4-(pyridin-4-yloxy)-benz...) Show SMILES CS(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C17H20N4O7S2/c1-29(24,25)20-12-10-16(17(22)19-23)21(11-12)30(26,27)15-4-2-13(3-5-15)28-14-6-8-18-9-7-14/h2-9,12,16,20,23H,10-11H2,1H3,(H,19,22)/t12-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095569 (4-(Methanesulfonyl-propyl-amino)-1-(4-methoxy-benz...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C16H25N3O7S2/c1-4-9-18(27(3,22)23)12-10-15(16(20)17-21)19(11-12)28(24,25)14-7-5-13(26-2)6-8-14/h5-8,12,15,21H,4,9-11H2,1-3H3,(H,17,20)/t12-,15+/m0/s1	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095567 ((1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOX...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O Show InChI InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/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	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095569 (4-(Methanesulfonyl-propyl-amino)-1-(4-methoxy-benz...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C16H25N3O7S2/c1-4-9-18(27(3,22)23)12-10-15(16(20)17-21)19(11-12)28(24,25)14-7-5-13(26-2)6-8-14/h5-8,12,15,21H,4,9-11H2,1-3H3,(H,17,20)/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095558 (4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-propo...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O Show InChI InChI=1S/C20H26N4O7S/c1-3-9-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)32(29,30)16-7-5-15(6-8-16)31-10-4-2/h3,5-8,13-14,17,25,28H,1,4,9-12H2,2H3,(H,21,26)/t14-,17+/m0/s1	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50102477 (4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...) Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-2				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095568 (1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-propiony...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](C)O Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(26,27)21-11-13(19-17(23)12(2)22)10-16(21)18(24)20-25/h5-8,12-13,16,22,25H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095590 (1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-4-methyl...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@@H](O)CC(C)C Show InChI InChI=1S/C21H33N3O7S/c1-4-5-10-31-16-6-8-17(9-7-16)32(29,30)24-13-15(12-18(24)20(26)23-28)22-21(27)19(25)11-14(2)3/h6-9,14-15,18-19,25,28H,4-5,10-13H2,1-3H3,(H,22,27)(H,23,26)/t15-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095582 (1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrr...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095562 (1-(4-Butoxy-benzenesulfonyl)-4-(1,1-dioxo-1lambda*...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C19H29N3O7S2/c1-2-3-10-29-16-4-6-17(7-5-16)31(27,28)22-14-15(13-18(22)19(23)20-24)21-8-11-30(25,26)12-9-21/h4-7,15,18,24H,2-3,8-14H2,1H3,(H,20,23)/t15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50102474 (4-{carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-methy...) Show SMILES COCCOC(=O)N1CCC(CC1)C(N(C)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O8S/c1-26(23(24(28)29)20-12-14-27(15-13-20)25(30)35-17-16-33-2)36(31,32)22-10-6-19(7-11-22)18-4-8-21(34-3)9-5-18/h4-11,20,23H,12-17H2,1-3H3,(H,28,29)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-2				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50102469 (4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...) Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-2				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50101729 (((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)| Show InChI InChI=1S/C24H29N3O6S/c1-33-20-10-4-16(5-11-20)17-6-12-21(13-7-17)34(31,32)26-22(23(28)29)18-2-8-19(9-3-18)27-15-14-25-24(27)30/h4-7,10-13,18-19,22,26H,2-3,8-9,14-15H2,1H3,(H,25,30)(H,28,29)/t18?,19?,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095551 (4-(2-Hydroxy-propionylamino)-1-(4-propoxy-benzenes...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](C)O Show InChI InChI=1S/C17H25N3O7S/c1-3-8-27-13-4-6-14(7-5-13)28(25,26)20-10-12(18-16(22)11(2)21)9-15(20)17(23)19-24/h4-7,11-12,15,21,24H,3,8-10H2,1-2H3,(H,18,22)(H,19,23)/t11-,12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095543 (1'-(4-Propoxy-benzenesulfonyl)-[1,3']bipyrrolidiny...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCC1 Show InChI InChI=1S/C18H27N3O5S/c1-2-11-26-15-5-7-16(8-6-15)27(24,25)21-13-14(20-9-3-4-10-20)12-17(21)18(22)19-23/h5-8,14,17,23H,2-4,9-13H2,1H3,(H,19,22)/t14-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101729 (((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)| Show InChI InChI=1S/C24H29N3O6S/c1-33-20-10-4-16(5-11-20)17-6-12-21(13-7-17)34(31,32)26-22(23(28)29)18-2-8-19(9-3-18)27-15-14-25-24(27)30/h4-7,10-13,18-19,22,26H,2-3,8-9,14-15H2,1H3,(H,25,30)(H,28,29)/t18?,19?,22-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095586 (4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-1-(4-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C16H23N3O7S2/c1-26-13-2-4-14(5-3-13)28(24,25)19-11-12(10-15(19)16(20)17-21)18-6-8-27(22,23)9-7-18/h2-5,12,15,21H,6-11H2,1H3,(H,17,20)/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095564 (1-(4-Methoxy-benzenesulfonyl)-4-piperidin-1-yl-pyr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C17H25N3O5S/c1-25-14-5-7-15(8-6-14)26(23,24)20-12-13(11-16(20)17(21)18-22)19-9-3-2-4-10-19/h5-8,13,16,22H,2-4,9-12H2,1H3,(H,18,21)/t13-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50102478 (4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...) Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50102482 (4-[carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...) Show SMILES CCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C23H28N2O7S/c1-3-32-23(28)25-14-12-18(13-15-25)21(22(26)27)24-33(29,30)20-10-6-17(7-11-20)16-4-8-19(31-2)9-5-16/h4-11,18,21,24H,3,12-15H2,1-2H3,(H,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	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-2				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 761 total )  |  Next  |  Last  >>

Jump to: