Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'xiao' and Initial = 'xy'   

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
Squalene monooxygenase (Homo sapiens (Human))	BDBM50279929 ((2Z,6E,10E,14E)-6,11,15,19-Tetramethyl-2-(4-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C30H50O/c1-25(2)14-10-18-29(7)20-12-19-27(5)16-8-9-17-28(6)21-13-23-30(24-31)22-11-15-26(3)4/h14-17,20,23,31H,8-13,18-19,21-22,24H2,1-7H3/b27-16+,28-17+,29-20+,30-23-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured against partially purified pig liver Squalene epoxidase (SE).				Bioorg Med Chem Lett 1: 227-232 (1991) Article DOI: 10.1016/S0960-894X(00)80258-9 BindingDB Entry DOI: 10.7270/Q27S7NP6
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070257 ((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...) Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070256 ((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...) Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15+,16-/m1/s1	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070228 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/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
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070247 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2-cyclohe...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C28H44N2O3S/c1-2-3-4-5-12-17-24(26(31)21-34)27(32)30-25(20-23-15-10-7-11-16-23)28(33)29-19-18-22-13-8-6-9-14-22/h6,8-9,13-14,23-25,34H,2-5,7,10-12,15-21H2,1H3,(H,29,33)(H,30,32)/t24?,25-/m0/s1	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070227 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H36N2O3S/c1-4-5-6-7-11-14-19(21(26)16-29)22(27)25-20(15-17(2)3)23(28)24-18-12-9-8-10-13-18/h8-10,12-13,17,19-20,29H,4-7,11,14-16H2,1-3H3,(H,24,28)(H,25,27)/t19?,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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070250 (2-(1-Hydroxy-2-mercapto-ethyl)-5-phenyl-pentanoic ...) Show SMILES OC(CS)C(CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H42N2O3S/c33-28(22-36)26(18-10-17-23-11-4-1-5-12-23)29(34)32-27(21-25-15-8-3-9-16-25)30(35)31-20-19-24-13-6-2-7-14-24/h1-2,4-7,11-14,25-28,33,36H,3,8-10,15-22H2,(H,31,35)(H,32,34)/t26?,27-,28?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070226 (2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2-cyclohe...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C28H45N3O5S2/c1-2-3-4-5-9-12-24(26(32)20-37)27(33)31-25(19-22-10-7-6-8-11-22)28(34)30-18-17-21-13-15-23(16-14-21)38(29,35)36/h13-16,22,24-25,37H,2-12,17-20H2,1H3,(H,30,34)(H,31,33)(H2,29,35,36)/t24?,25-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070223 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070256 ((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...) Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15+,16-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1, Collagenase-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50063920 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1, Collagenase-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070229 (2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...) Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070239 (2-(2-Mercapto-acetyl)-nonanoic acid [(S)-3-methyl-...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H43N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-20,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070253 ((2R,4S)-4-Hydroxy-2-isobutyl-5-mercapto-pentanoic ...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C[C@H](O)CS)C(C)(C)C Show InChI InChI=1S/C16H32N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-13,19,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,12+,13-/m1/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070257 ((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...) Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3, stromelysin-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070254 ((R)-2-Isobutyl-5-mercapto-4-oxo-pentanoic acid ((S...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)CS)C(C)(C)C Show InChI InChI=1S/C16H30N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-11,13,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,13-/m1/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070256 ((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...) Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15+,16-/m1/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3, stromelysin-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070257 ((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...) Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1, Collagenase-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070233 (2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...) Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C32H56N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-29,33-34,37,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?,29?/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	>10	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070235 (2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...) Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H45N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-21,27,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-,21?/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	>10	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070241 (2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/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	>10	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070254 ((R)-2-Isobutyl-5-mercapto-4-oxo-pentanoic acid ((S...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)CS)C(C)(C)C Show InChI InChI=1S/C16H30N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-11,13,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,13-/m1/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1, Collagenase-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070253 ((2R,4S)-4-Hydroxy-2-isobutyl-5-mercapto-pentanoic ...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C[C@H](O)CS)C(C)(C)C Show InChI InChI=1S/C16H32N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-13,19,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,12+,13-/m1/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1, Collagenase-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50063920 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070251 ((R)-2-((R)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...) Show SMILES CCCCCCC[C@H](C[C@@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15-,16-/m1/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070240 (2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C32H54N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-28,33-34,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070229 (2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...) Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070228 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070228 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070234 (2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid [(S)...) Show SMILES CC(C)CC(C(=O)CS)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C Show InChI InChI=1S/C19H29N3O3S/c1-12(2)10-13(14(23)11-26)17(24)22-16(19(3,4)5)18(25)21-15-8-6-7-9-20-15/h6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,24)(H,20,21,25)/t13?,16-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070223 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070244 (2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...) Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C26H49N3O4S/c1-2-3-4-5-9-12-22(24(30)20-34)25(31)28-23(19-21-10-7-6-8-11-21)26(32)27-13-14-29-15-17-33-18-16-29/h21-24,30,34H,2-20H2,1H3,(H,27,32)(H,28,31)/t22?,23-,24?/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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070230 (2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid ((S)-...) Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H42N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-23,28,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070258 ((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid [(S)...) Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C26H49N3O4S/c1-7-9-10-11-12-13-20(16-21(30)17-34)24(31)28-23(15-19(5)6)26(33)29-25(32)22(27-8-2)14-18(3)4/h18-20,22-23,27,34H,7-17H2,1-6H3,(H,28,31)(H,29,32,33)/t20-,22?,23+/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070225 (2-(1-Hydroxy-2-mercapto-ethyl)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(O)CS)C(C)(C)C Show InChI InChI=1S/C15H30N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-12,18,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,11?,12-/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	>20	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070236 (2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2,2-dimet...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)(C)C Show InChI InChI=1S/C25H41N3O5S2/c1-5-6-7-8-9-10-20(21(29)17-34)23(30)28-22(25(2,3)4)24(31)27-16-15-18-11-13-19(14-12-18)35(26,32)33/h11-14,20,22,34H,5-10,15-17H2,1-4H3,(H,27,31)(H,28,30)(H2,26,32,33)/t20?,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	22	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070255 ((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...) Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C26H51N3O4S/c1-7-9-10-11-12-13-20(16-21(30)17-34)24(31)28-23(15-19(5)6)26(33)29-25(32)22(27-8-2)14-18(3)4/h18-23,27,30,34H,7-17H2,1-6H3,(H,28,31)(H,29,32,33)/t20-,21+,22?,23+/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, gelatinase-B				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070241 (2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/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	26	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070242 (2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-6-9-11-12-13-14-19(22(29)17-33)23(30)27-20(15-10-7-2)24(31)28-25(32)21(26-8-3)16-18(4)5/h18-21,26,33H,6-17H2,1-5H3,(H,27,30)(H,28,31,32)/t19?,20-,21?/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070241 (2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070258 ((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid [(S)...) Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C26H49N3O4S/c1-7-9-10-11-12-13-20(16-21(30)17-34)24(31)28-23(15-19(5)6)26(33)29-25(32)22(27-8-2)14-18(3)4/h18-20,22-23,27,34H,7-17H2,1-6H3,(H,28,31)(H,29,32,33)/t20-,22?,23+/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	36	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3, stromelysin-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070223 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/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	39	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070255 ((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...) Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C26H51N3O4S/c1-7-9-10-11-12-13-20(16-21(30)17-34)24(31)28-23(15-19(5)6)26(33)29-25(32)22(27-8-2)14-18(3)4/h18-23,27,30,34H,7-17H2,1-6H3,(H,28,31)(H,29,32,33)/t20-,21+,22?,23+/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	39	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3, stromelysin-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070226 (2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2-cyclohe...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C28H45N3O5S2/c1-2-3-4-5-9-12-24(26(32)20-37)27(33)31-25(19-22-10-7-6-8-11-22)28(34)30-18-17-21-13-15-23(16-14-21)38(29,35)36/h13-16,22,24-25,37H,2-12,17-20H2,1H3,(H,30,34)(H,31,33)(H2,29,35,36)/t24?,25-/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	43	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070252 ((2R,4R)-4-Hydroxy-2-isobutyl-5-mercapto-pentanoic ...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C[C@@H](O)CS)C(C)(C)C Show InChI InChI=1S/C16H32N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-13,19,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,12-,13-/m1/s1	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1, Collagenase-1				Bioorg Med Chem Lett 8: 1163-8 (1999) BindingDB Entry DOI: 10.7270/Q2348JH9
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50477664 (CHEMBL399738) Show SMILES ONC(=O)\C=C\c1cnc(s1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H20N4O4S2/c25-19(22-26)8-6-17-14-21-20(29-17)23-9-11-24(12-10-23)30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,26H,9-12H2,(H,22,25)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of HDAC activity in HeLa cell nuclear extract by fluorescent assay				Bioorg Med Chem Lett 17: 5995-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.050 BindingDB Entry DOI: 10.7270/Q24X5BKT
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070234 (2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid [(S)...) Show SMILES CC(C)CC(C(=O)CS)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C Show InChI InChI=1S/C19H29N3O3S/c1-12(2)10-13(14(23)11-26)17(24)22-16(19(3,4)5)18(25)21-15-8-6-7-9-20-15/h6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,24)(H,20,21,25)/t13?,16-/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	69	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50477647 (CHEMBL251183) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ncc(s1)C(=O)NO Show InChI InChI=1S/C16H20N4O6S2/c1-25-12-4-3-11(9-13(12)26-2)28(23,24)20-7-5-19(6-8-20)16-17-10-14(27-16)15(21)18-22/h3-4,9-10,22H,5-8H2,1-2H3,(H,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of HDAC activity in HeLa cell nuclear extract by fluorescent assay				Bioorg Med Chem Lett 17: 5995-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.050 BindingDB Entry DOI: 10.7270/Q24X5BKT
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070247 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2-cyclohe...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C28H44N2O3S/c1-2-3-4-5-12-17-24(26(31)21-34)27(32)30-25(20-23-15-10-7-11-16-23)28(33)29-19-18-22-13-8-6-9-14-22/h6,8-9,13-14,23-25,34H,2-5,7,10-12,15-21H2,1H3,(H,29,33)(H,30,32)/t24?,25-/m0/s1	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	88	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070227 (2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...) Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H36N2O3S/c1-4-5-6-7-11-14-19(21(26)16-29)22(27)25-20(15-17(2)3)23(28)24-18-12-9-8-10-13-18/h8-10,12-13,17,19-20,29H,4-7,11,14-16H2,1-3H3,(H,24,28)(H,25,27)/t19?,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	88	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair

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