Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50008176   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071267 ((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...) Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1 Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071257 ((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071265 ((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071267 ((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...) Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1 Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071268 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071263 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071257 ((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071263 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071258 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071268 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071262 ((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071263 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071264 ((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071262 ((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071269 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071262 ((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50064341 ((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071268 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071269 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071265 ((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50064341 ((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50064341 ((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071258 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071269 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071263 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071269 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071259 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071268 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071264 ((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071267 ((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...) Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1 Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071264 ((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071265 ((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071262 ((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071259 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071259 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071258 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,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	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064341 ((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071265 ((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/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	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071259 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071264 ((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071258 ((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,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	25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071267 ((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...) Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1 Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,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	54	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071261 ((8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2 Show InChI InChI=1S/C23H34N2O5/c1-15(2)13-19-18(23(28)29)7-5-4-6-12-30-17-10-8-16(9-11-17)14-20(22(27)24-3)25-21(19)26/h8-11,15,18-20H,4-7,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19+,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	75	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071260 ((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071261 ((8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2 Show InChI InChI=1S/C23H34N2O5/c1-15(2)13-19-18(23(28)29)7-5-4-6-12-30-17-10-8-16(9-11-17)14-20(22(27)24-3)25-21(19)26/h8-11,15,18-20H,4-7,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19+,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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071257 ((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071257 ((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/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	210	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast collagenase (MMP-1)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50071260 ((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast gelatinase A (MMP-2)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50071260 ((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/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	440	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071260 ((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/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	570	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast stromelysin (MMP-3)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
					More data for this Ligand-Target Pair

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