Compile Data Set for Download or QSAR

Found 347 hits with Last Name = 'dietsch' and Initial = 'cr'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50084219 ((R)-4-[(Z)-Benzyloxyimino]-1-(4-butoxy-benzenesulf...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OCc1ccccc1 Show InChI InChI=1S/C22H27N3O6S/c1-2-3-13-30-19-9-11-20(12-10-19)32(28,29)25-15-18(14-21(25)22(26)23-27)24-31-16-17-7-5-4-6-8-17/h4-12,21,27H,2-3,13-16H2,1H3,(H,23,26)/b24-18-/t21-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084222 ((R)-4-[(Z)-Hydroxyimino]-1-(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C=C(C[C@@H]1C(=O)NO)NO |c:13| Show InChI InChI=1S/C12H15N3O6S/c1-21-9-2-4-10(5-3-9)22(19,20)15-7-8(13-17)6-11(15)12(16)14-18/h2-5,7,11,13,17-18H,6H2,1H3,(H,14,16)/t11-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084207 ((R)-4-[(Z)-tert-Butoxyimino]-1-[4-(4-fluoro-phenox...) Show SMILES CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO Show InChI InChI=1S/C21H24FN3O6S/c1-21(2,3)31-24-15-12-19(20(26)23-27)25(13-15)32(28,29)18-10-8-17(9-11-18)30-16-6-4-14(22)5-7-16/h4-11,19,27H,12-13H2,1-3H3,(H,23,26)/b24-15-/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50084202 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-hydroxyimi...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C=C(C[C@@H]1C(=O)NO)NO |c:16| Show InChI InChI=1S/C15H21N3O6S/c1-2-3-8-24-12-4-6-13(7-5-12)25(22,23)18-10-11(16-20)9-14(18)15(19)17-21/h4-7,10,14,16,20-21H,2-3,8-9H2,1H3,(H,17,19)/t14-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50084222 ((R)-4-[(Z)-Hydroxyimino]-1-(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C=C(C[C@@H]1C(=O)NO)NO |c:13| Show InChI InChI=1S/C12H15N3O6S/c1-21-9-2-4-10(5-3-9)22(19,20)15-7-8(13-17)6-11(15)12(16)14-18/h2-5,7,11,13,17-18H,6H2,1H3,(H,14,16)/t11-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
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
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))	BDBM50084226 ((R)-1-(4-Ethoxy-benzenesulfonyl)-4-[(Z)-methoxyimi...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC Show InChI InChI=1S/C14H19N3O6S/c1-3-23-11-4-6-12(7-5-11)24(20,21)17-9-10(16-22-2)8-13(17)14(18)15-19/h4-7,13,19H,3,8-9H2,1-2H3,(H,15,18)/b16-10-/t13-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084202 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-hydroxyimi...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C=C(C[C@@H]1C(=O)NO)NO |c:16| Show InChI InChI=1S/C15H21N3O6S/c1-2-3-8-24-12-4-6-13(7-5-12)25(22,23)18-10-11(16-20)9-14(18)15(19)17-21/h4-7,10,14,16,20-21H,2-3,8-9H2,1H3,(H,17,19)/t14-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50084198 ((R)-4-[(Z)-Methoxyimino]-1-[4-(pyridin-4-yloxy)-be...) Show SMILES CO\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C17H18N4O6S/c1-26-20-12-10-16(17(22)19-23)21(11-12)28(24,25)15-4-2-13(3-5-15)27-14-6-8-18-9-7-14/h2-9,16,23H,10-11H2,1H3,(H,19,22)/b20-12-/t16-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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
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))	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))	BDBM50084206 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-methoxyimi...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC Show InChI InChI=1S/C16H23N3O6S/c1-3-4-9-25-13-5-7-14(8-6-13)26(22,23)19-11-12(18-24-2)10-15(19)16(20)17-21/h5-8,15,21H,3-4,9-11H2,1-2H3,(H,17,20)/b18-12-/t15-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084208 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-tert-butox...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC(C)(C)C Show InChI InChI=1S/C19H29N3O6S/c1-5-6-11-27-15-7-9-16(10-8-15)29(25,26)22-13-14(21-28-19(2,3)4)12-17(22)18(23)20-24/h7-10,17,24H,5-6,11-13H2,1-4H3,(H,20,23)/b21-14-/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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
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))	BDBM50084199 ((R)-4-[(Z)-Phenoxyimino]-1-[4-(pyridin-4-yloxy)-be...) Show SMILES ONC(=O)[C@H]1C\C(CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1)=N\Oc1ccccc1 Show InChI InChI=1S/C22H20N4O6S/c27-22(24-28)21-14-16(25-32-19-4-2-1-3-5-19)15-26(21)33(29,30)20-8-6-17(7-9-20)31-18-10-12-23-13-11-18/h1-13,21,28H,14-15H2,(H,24,27)/b25-16-/t21-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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
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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50084217 ((R)-4-Methylene-1-(4-phenoxy-benzenesulfonyl)-pyrr...) Show SMILES ONC(=O)[C@H]1CC(=C)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H18N2O5S/c1-13-11-17(18(21)19-22)20(12-13)26(23,24)16-9-7-15(8-10-16)25-14-5-3-2-4-6-14/h2-10,17,22H,1,11-12H2,(H,19,21)/t17-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50084209 ((R)-1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-[(Z...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC Show InChI InChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50084208 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-tert-butox...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC(C)(C)C Show InChI InChI=1S/C19H29N3O6S/c1-5-6-11-27-15-7-9-16(10-8-15)29(25,26)22-13-14(21-28-19(2,3)4)12-17(22)18(23)20-24/h7-10,17,24H,5-6,11-13H2,1-4H3,(H,20,23)/b21-14-/t17-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084203 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-ethoxyimin...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OCC Show InChI InChI=1S/C17H25N3O6S/c1-3-5-10-25-14-6-8-15(9-7-14)27(23,24)20-12-13(19-26-4-2)11-16(20)17(21)18-22/h6-9,16,22H,3-5,10-12H2,1-2H3,(H,18,21)/b19-13-/t16-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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
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))	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
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))	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
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
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))	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))	BDBM50084197 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-methylene-pyrro...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(=C)C[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O5S/c1-3-4-9-23-13-5-7-14(8-6-13)24(21,22)18-11-12(2)10-15(18)16(19)17-20/h5-8,15,20H,2-4,9-11H2,1H3,(H,17,19)/t15-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50084201 ((R)-4-[(Z)-tert-Butoxyimino]-1-(4-methoxy-benzenes...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC(C)(C)C Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)25-18-11-9-14(15(20)17-21)19(10-11)26(22,23)13-7-5-12(24-4)6-8-13/h5-8,14,21H,9-10H2,1-4H3,(H,17,20)/b18-11-/t14-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084226 ((R)-1-(4-Ethoxy-benzenesulfonyl)-4-[(Z)-methoxyimi...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC Show InChI InChI=1S/C14H19N3O6S/c1-3-23-11-4-6-12(7-5-11)24(20,21)17-9-10(16-22-2)8-13(17)14(18)15-19/h4-7,13,19H,3,8-9H2,1-2H3,(H,15,18)/b16-10-/t13-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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))	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))	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
Collagenase 3 (Homo sapiens (Human))	BDBM50084205 ((R)-1-[4-(4-Fluoro-phenoxy)-benzenesulfonyl]-4-[(Z...) Show SMILES CO\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO Show InChI InChI=1S/C18H18FN3O6S/c1-27-21-13-10-17(18(23)20-24)22(11-13)29(25,26)16-8-6-15(7-9-16)28-14-4-2-12(19)3-5-14/h2-9,17,24H,10-11H2,1H3,(H,20,23)/b21-13-/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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
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))	BDBM50084197 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-methylene-pyrro...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(=C)C[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O5S/c1-3-4-9-23-13-5-7-14(8-6-13)24(21,22)18-11-12(2)10-15(18)16(19)17-20/h5-8,15,20H,2-4,9-11H2,1H3,(H,17,19)/t15-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					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
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))	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))	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
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

Displayed 1 to 50 (of 347 total )  |  Next  |  Last  >>

Jump to: