Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 3266   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30146 (alpha-sulfone piperidine hydroxamate, 11g) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C28H33N3O7S/c1-19-17-20(23-7-5-6-8-24(23)29-19)18-37-21-9-11-22(12-10-21)39(35,36)28(25(32)30-34)13-15-31(16-14-28)26(33)38-27(2,3)4/h5-12,17,34H,13-16,18H2,1-4H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30144 (CHEMBL212481 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30136 (CHEMBL385821 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCNCC1)C(=O)NO Show InChI InChI=1S/C17H22N2O5S/c1-2-3-12-24-14-4-6-15(7-5-14)25(22,23)13-17(16(20)19-21)8-10-18-11-9-17/h4-7,18,21H,8-13H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30142 (alpha-sulfone piperidine hydroxamate, 11e) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccccc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C30H29N3O6S/c1-21-19-23(26-9-5-6-10-27(26)31-21)20-39-24-11-13-25(14-12-24)40(37,38)30(29(35)32-36)15-17-33(18-16-30)28(34)22-7-3-2-4-8-22/h2-14,19,36H,15-18,20H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30138 (alpha-sulfone piperidine hydroxamate, 11c) Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C25H27N3O6S/c1-17-15-19(22-5-3-4-6-23(22)26-17)16-34-20-7-9-21(10-8-20)35(32,33)25(24(30)27-31)11-13-28(14-12-25)18(2)29/h3-10,15,31H,11-14,16H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30154 (alpha-sulfone piperidine hydroxamate, 11m) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H27N3O7S2/c1-17-15-18(21-5-3-4-6-22(21)25-17)16-34-19-7-9-20(10-8-19)36(32,33)24(23(28)26-29)11-13-27(14-12-24)35(2,30)31/h3-10,15,29H,11-14,16H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30140 (CHEMBL380049 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30141 (alpha-sulfone piperidine hydroxamate, 11d) Show SMILES CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H31N3O6S/c1-18(2)25(31)30-14-12-27(13-15-30,26(32)29-33)37(34,35)22-10-8-21(9-11-22)36-17-20-16-19(3)28-24-7-5-4-6-23(20)24/h4-11,16,18,33H,12-15,17H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30137 (alpha-sulfone piperidine hydroxamate, 11b) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O6S/c1-17-14-18(21-4-2-3-5-22(21)25-17)15-33-19-6-8-20(9-7-19)34(31,32)24(23(29)26-30)10-12-27(16-28)13-11-24/h2-9,14,16,30H,10-13,15H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30145 (alpha-sulfone piperidine hydroxamate, 11f) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccncc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H28N4O6S/c1-20-18-22(25-4-2-3-5-26(25)31-20)19-39-23-6-8-24(9-7-23)40(37,38)29(28(35)32-36)12-16-33(17-13-29)27(34)21-10-14-30-15-11-21/h2-11,14-15,18,36H,12-13,16-17,19H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30148 (alpha-sulfone piperidine hydroxamate, 11h) Show SMILES CCNC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H30N4O6S/c1-3-27-25(32)30-14-12-26(13-15-30,24(31)29-33)37(34,35)21-10-8-20(9-11-21)36-17-19-16-18(2)28-23-7-5-4-6-22(19)23/h4-11,16,33H,3,12-15,17H2,1-2H3,(H,27,32)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM23501 (BMCL193445 Compound 2d | beta-sulfonyl hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO Show InChI InChI=1S/C22H30N2O7S/c1-5-6-15-30-17-7-9-18(10-8-17)32(28,29)16-22(19(25)23-27)11-13-24(14-12-22)20(26)31-21(2,3)4/h7-10,27H,11-16H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30149 (alpha-sulfone piperidine hydroxamate, 11i) Show SMILES CCN(CC)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H34N4O6S/c1-4-31(5-2)27(34)32-16-14-28(15-17-32,26(33)30-35)39(36,37)23-12-10-22(11-13-23)38-19-21-18-20(3)29-25-9-7-6-8-24(21)25/h6-13,18,35H,4-5,14-17,19H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30151 (alpha-sulfone piperidine hydroxamate, 11k) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccncc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H30N4O5S/c1-21-18-23(26-4-2-3-5-27(26)31-21)20-38-24-6-8-25(9-7-24)39(36,37)29(28(34)32-35)12-16-33(17-13-29)19-22-10-14-30-15-11-22/h2-11,14-15,18,35H,12-13,16-17,19-20H2,1H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30155 (alpha-sulfone piperidine hydroxamate, 11n) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H31N3O7S2/c1-18(2)38(34,35)29-14-12-26(13-15-29,25(30)28-31)37(32,33)22-10-8-21(9-11-22)36-17-20-16-19(3)27-24-7-5-4-6-23(20)24/h4-11,16,18,31H,12-15,17H2,1-3H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30150 (alpha-sulfone piperidine hydroxamate, 11j) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C24H27N3O5S/c1-17-15-18(21-5-3-4-6-22(21)25-17)16-32-19-7-9-20(10-8-19)33(30,31)24(23(28)26-29)11-13-27(2)14-12-24/h3-10,15,29H,11-14,16H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30134 (alpha-sulfone piperidine hydroxamate, 11a) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCNCC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H25N3O5S/c1-16-14-17(20-4-2-3-5-21(20)25-16)15-31-18-6-8-19(9-7-18)32(29,30)23(22(27)26-28)10-12-24-13-11-23/h2-9,14,24,28H,10-13,15H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30139 (alpha-sulfone piperidine hydroxamate, 1b) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C18H22N2O6S/c1-3-4-13-26-15-5-7-16(8-6-15)27(24,25)18(17(22)19-23)9-11-20(12-10-18)14(2)21/h5-8,23H,9-13H2,1-2H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30149 (alpha-sulfone piperidine hydroxamate, 11i) Show SMILES CCN(CC)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H34N4O6S/c1-4-31(5-2)27(34)32-16-14-28(15-17-32,26(33)30-35)39(36,37)23-12-10-22(11-13-23)38-19-21-18-20(3)29-25-9-7-6-8-24(21)25/h6-13,18,35H,4-5,14-17,19H2,1-3H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30144 (CHEMBL212481 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)	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	59	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30144 (CHEMBL212481 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30152 (alpha-sulfone piperidine hydroxamate, 11l) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C30H29Cl2N3O5S/c1-20-16-22(25-4-2-3-5-28(25)33-20)19-40-23-7-9-24(10-8-23)41(38,39)30(29(36)34-37)12-14-35(15-13-30)18-21-6-11-26(31)27(32)17-21/h2-11,16-17,37H,12-15,18-19H2,1H3,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30153 (alpha-sulfone piperidine hydroxamate, 1e) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO Show InChI InChI=1S/C23H24Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,10-14,16H2,1H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30143 (alpha-sulfone piperidine hydroxamate, 1c) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C23H24N2O6S/c1-2-3-17-31-19-9-11-20(12-10-19)32(29,30)23(22(27)24-28)13-15-25(16-14-23)21(26)18-7-5-4-6-8-18/h4-12,28H,13-17H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30152 (alpha-sulfone piperidine hydroxamate, 11l) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C30H29Cl2N3O5S/c1-20-16-22(25-4-2-3-5-28(25)33-20)19-40-23-7-9-24(10-8-23)41(38,39)30(29(36)34-37)12-14-35(15-13-30)18-21-6-11-26(31)27(32)17-21/h2-11,16-17,37H,12-15,18-19H2,1H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30149 (alpha-sulfone piperidine hydroxamate, 11i) Show SMILES CCN(CC)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H34N4O6S/c1-4-31(5-2)27(34)32-16-14-28(15-17-32,26(33)30-35)39(36,37)23-12-10-22(11-13-23)38-19-21-18-20(3)29-25-9-7-6-8-24(21)25/h6-13,18,35H,4-5,14-17,19H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30143 (alpha-sulfone piperidine hydroxamate, 1c) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C23H24N2O6S/c1-2-3-17-31-19-9-11-20(12-10-19)32(29,30)23(22(27)24-28)13-15-25(16-14-23)21(26)18-7-5-4-6-8-18/h4-12,28H,13-17H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30147 (alpha-sulfone piperidine hydroxamate, 1d) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO Show InChI InChI=1S/C21H28N2O7S/c1-5-6-15-29-16-7-9-17(10-8-16)31(27,28)21(18(24)22-26)11-13-23(14-12-21)19(25)30-20(2,3)4/h7-10,26H,11-15H2,1-4H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM23501 (BMCL193445 Compound 2d | beta-sulfonyl hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO Show InChI InChI=1S/C22H30N2O7S/c1-5-6-15-30-17-7-9-18(10-8-17)32(28,29)16-22(19(25)23-27)11-13-24(14-12-22)20(26)31-21(2,3)4/h7-10,27H,11-16H2,1-4H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30139 (alpha-sulfone piperidine hydroxamate, 1b) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C18H22N2O6S/c1-3-4-13-26-15-5-7-16(8-6-15)27(24,25)18(17(22)19-23)9-11-20(12-10-18)14(2)21/h5-8,23H,9-13H2,1-2H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30152 (alpha-sulfone piperidine hydroxamate, 11l) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C30H29Cl2N3O5S/c1-20-16-22(25-4-2-3-5-28(25)33-20)19-40-23-7-9-24(10-8-23)41(38,39)30(29(36)34-37)12-14-35(15-13-30)18-21-6-11-26(31)27(32)17-21/h2-11,16-17,37H,12-15,18-19H2,1H3,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30153 (alpha-sulfone piperidine hydroxamate, 1e) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO Show InChI InChI=1S/C23H24Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,10-14,16H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30140 (CHEMBL380049 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)	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	155	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30135 (alpha-sulfone piperidine hydroxamate, 1a) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C16H20N2O5S/c1-2-3-12-23-13-4-6-14(7-5-13)24(21,22)16(15(19)18-20)8-10-17-11-9-16/h4-7,17,20H,8-12H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30142 (alpha-sulfone piperidine hydroxamate, 11e) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccccc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C30H29N3O6S/c1-21-19-23(26-9-5-6-10-27(26)31-21)20-39-24-11-13-25(14-12-24)40(37,38)30(29(35)32-36)15-17-33(18-16-30)28(34)22-7-3-2-4-8-22/h2-14,19,36H,15-18,20H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30151 (alpha-sulfone piperidine hydroxamate, 11k) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccncc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H30N4O5S/c1-21-18-23(26-4-2-3-5-27(26)31-21)20-38-24-6-8-25(9-7-24)39(36,37)29(28(34)32-35)12-16-33(17-13-29)19-22-10-14-30-15-11-22/h2-11,14-15,18,35H,12-13,16-17,19-20H2,1H3,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30147 (alpha-sulfone piperidine hydroxamate, 1d) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO Show InChI InChI=1S/C21H28N2O7S/c1-5-6-15-29-16-7-9-17(10-8-16)31(27,28)21(18(24)22-26)11-13-23(14-12-21)19(25)30-20(2,3)4/h7-10,26H,11-15H2,1-4H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30140 (CHEMBL380049 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30145 (alpha-sulfone piperidine hydroxamate, 11f) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccncc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H28N4O6S/c1-20-18-22(25-4-2-3-5-26(25)31-20)19-39-23-6-8-24(9-7-23)40(37,38)29(28(35)32-36)12-16-33(17-13-29)27(34)21-10-14-30-15-11-21/h2-11,14-15,18,36H,12-13,16-17,19H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	349	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30154 (alpha-sulfone piperidine hydroxamate, 11m) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H27N3O7S2/c1-17-15-18(21-5-3-4-6-22(21)25-17)16-34-19-7-9-20(10-8-19)36(32,33)24(23(28)26-29)11-13-27(14-12-24)35(2,30)31/h3-10,15,29H,11-14,16H2,1-2H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30141 (alpha-sulfone piperidine hydroxamate, 11d) Show SMILES CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H31N3O6S/c1-18(2)25(31)30-14-12-27(13-15-30,26(32)29-33)37(34,35)22-10-8-21(9-11-22)36-17-20-16-19(3)28-24-7-5-4-6-23(20)24/h4-11,16,18,33H,12-15,17H2,1-3H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30137 (alpha-sulfone piperidine hydroxamate, 11b) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O6S/c1-17-14-18(21-4-2-3-5-22(21)25-17)15-33-19-6-8-20(9-7-19)34(31,32)24(23(29)26-30)10-12-27(16-28)13-11-24/h2-9,14,16,30H,10-13,15H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30142 (alpha-sulfone piperidine hydroxamate, 11e) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccccc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C30H29N3O6S/c1-21-19-23(26-9-5-6-10-27(26)31-21)20-39-24-11-13-25(14-12-24)40(37,38)30(29(35)32-36)15-17-33(18-16-30)28(34)22-7-3-2-4-8-22/h2-14,19,36H,15-18,20H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	516	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30148 (alpha-sulfone piperidine hydroxamate, 11h) Show SMILES CCNC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H30N4O6S/c1-3-27-25(32)30-14-12-26(13-15-30,24(31)29-33)37(34,35)21-10-8-20(9-11-21)36-17-19-16-18(2)28-23-7-5-4-6-22(19)23/h4-11,16,33H,3,12-15,17H2,1-2H3,(H,27,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	835	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30151 (alpha-sulfone piperidine hydroxamate, 11k) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccncc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H30N4O5S/c1-21-18-23(26-4-2-3-5-27(26)31-21)20-38-24-6-8-25(9-7-24)39(36,37)29(28(34)32-35)12-16-33(17-13-29)19-22-10-14-30-15-11-22/h2-11,14-15,18,35H,12-13,16-17,19-20H2,1H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	855	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30155 (alpha-sulfone piperidine hydroxamate, 11n) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H31N3O7S2/c1-18(2)38(34,35)29-14-12-26(13-15-29,25(30)28-31)37(32,33)22-10-8-21(9-11-22)36-17-20-16-19(3)27-24-7-5-4-6-23(20)24/h4-11,16,18,31H,12-15,17H2,1-3H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	926	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30145 (alpha-sulfone piperidine hydroxamate, 11f) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccncc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H28N4O6S/c1-20-18-22(25-4-2-3-5-26(25)31-20)19-39-23-6-8-24(9-7-23)40(37,38)29(28(35)32-36)12-16-33(17-13-29)27(34)21-10-14-30-15-11-21/h2-11,14-15,18,36H,12-13,16-17,19H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30146 (alpha-sulfone piperidine hydroxamate, 11g) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C28H33N3O7S/c1-19-17-20(23-7-5-6-8-24(23)29-19)18-37-21-9-11-22(12-10-21)39(35,36)28(25(32)30-34)13-15-31(16-14-28)26(33)38-27(2,3)4/h5-12,17,34H,13-16,18H2,1-4H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30141 (alpha-sulfone piperidine hydroxamate, 11d) Show SMILES CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H31N3O6S/c1-18(2)25(31)30-14-12-27(13-15-30,26(32)29-33)37(34,35)22-10-8-21(9-11-22)36-17-20-16-19(3)28-24-7-5-4-6-23(20)24/h4-11,16,18,33H,12-15,17H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30138 (alpha-sulfone piperidine hydroxamate, 11c) Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C25H27N3O6S/c1-17-15-19(22-5-3-4-6-23(22)26-17)16-34-20-7-9-21(10-8-20)35(32,33)25(24(30)27-31)11-13-28(14-12-25)18(2)29/h3-10,15,31H,11-14,16H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair

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