Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50042679   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50429233 (CHEMBL2333287) Show SMILES COc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC |r| Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m1/s1	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429232 (CHEMBL2333288) Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC |r| Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429232 (CHEMBL2333288) Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC |r| Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429242 (CHEMBL2333278) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(=O)NO)cc1OC Show InChI InChI=1S/C27H27NO7/c1-32-23-14-10-21(16-24(23)33-2)17-25(27(30)28-31)35-26(29)15-11-19-8-12-22(13-9-19)34-18-20-6-4-3-5-7-20/h3-16,25,31H,17-18H2,1-2H3,(H,28,30)/b15-11+	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429241 (CHEMBL2333279) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)NO)cc1OC Show InChI InChI=1S/C34H33NO8/c1-39-28-16-14-27(20-30(28)40-2)21-32(34(37)35-38)43-33(36)18-15-24-13-17-29(41-22-25-9-5-3-6-10-25)31(19-24)42-23-26-11-7-4-8-12-26/h3-20,32,38H,21-23H2,1-2H3,(H,35,37)/b18-15+	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429243 (CHEMBL2333277) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)-c2ccccc2)C(=O)NO)cc1OC Show InChI InChI=1S/C26H25NO6/c1-31-22-14-10-19(16-23(22)32-2)17-24(26(29)27-30)33-25(28)15-11-18-8-12-21(13-9-18)20-6-4-3-5-7-20/h3-16,24,30H,17H2,1-2H3,(H,27,29)/b15-11+	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50133496 ((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...) Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429240 (CHEMBL2333280) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc3ccccc3c2)C(=O)NO)cc1OC Show InChI InChI=1S/C24H23NO6/c1-29-20-11-8-17(14-21(20)30-2)15-22(24(27)25-28)31-23(26)12-9-16-7-10-18-5-3-4-6-19(18)13-16/h3-14,22,28H,15H2,1-2H3,(H,25,27)/b12-9+	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	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429244 (CHEMBL2333276) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(Br)cc2)C(=O)NO)cc1OC Show InChI InChI=1S/C20H20BrNO6/c1-26-16-9-5-14(11-17(16)27-2)12-18(20(24)22-25)28-19(23)10-6-13-3-7-15(21)8-4-13/h3-11,18,25H,12H2,1-2H3,(H,22,24)/b10-6+	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	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429251 (CHEMBL2333268) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)-c2ccccc2)C(O)=O)cc1OC Show InChI InChI=1S/C26H24O6/c1-30-22-14-10-19(16-23(22)31-2)17-24(26(28)29)32-25(27)15-11-18-8-12-21(13-9-18)20-6-4-3-5-7-20/h3-16,24H,17H2,1-2H3,(H,28,29)/b15-11+	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429250 (CHEMBL2333269) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(O)=O)cc1OC Show InChI InChI=1S/C27H26O7/c1-31-23-14-10-21(16-24(23)32-2)17-25(27(29)30)34-26(28)15-11-19-8-12-22(13-9-19)33-18-20-6-4-3-5-7-20/h3-16,25H,17-18H2,1-2H3,(H,29,30)/b15-11+	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	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429239 (CHEMBL2333281) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc3CCOc3c2)C(=O)NO)cc1OC Show InChI InChI=1S/C22H23NO7/c1-27-17-7-4-15(12-19(17)28-2)13-20(22(25)23-26)30-21(24)8-5-14-3-6-16-9-10-29-18(16)11-14/h3-8,11-12,20,26H,9-10,13H2,1-2H3,(H,23,25)/b8-5+	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	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429254 (CHEMBL2333265) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(Br)cc2)C(O)=O)cc1OC Show InChI InChI=1S/C20H19BrO6/c1-25-16-9-5-14(11-17(16)26-2)12-18(20(23)24)27-19(22)10-6-13-3-7-15(21)8-4-13/h3-11,18H,12H2,1-2H3,(H,23,24)/b10-6+	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	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429248 (CHEMBL2333271) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)=O)cc1OC Show InChI InChI=1S/C20H20O8/c1-26-16-7-4-13(10-17(16)27-2)11-18(20(24)25)28-19(23)8-5-12-3-6-14(21)15(22)9-12/h3-10,18,21-22H,11H2,1-2H3,(H,24,25)/b8-5+	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	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50210054 ((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...) Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/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	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429253 (CHEMBL2333266) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccccc2F)C(O)=O)cc1OC Show InChI InChI=1S/C20H19FO6/c1-25-16-9-7-13(11-17(16)26-2)12-18(20(23)24)27-19(22)10-8-14-5-3-4-6-15(14)21/h3-11,18H,12H2,1-2H3,(H,23,24)/b10-8+	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	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429252 (CHEMBL2333267) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C(O)=O)cc1OC Show InChI InChI=1S/C20H19NO8/c1-27-16-9-5-14(11-17(16)28-2)12-18(20(23)24)29-19(22)10-6-13-3-7-15(8-4-13)21(25)26/h3-11,18H,12H2,1-2H3,(H,23,24)/b10-6+	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	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429257 (CHEMBL2331574) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)C(F)(F)F)C(O)=O)cc1OC Show InChI InChI=1S/C21H19F3O6/c1-28-16-9-5-14(11-17(16)29-2)12-18(20(26)27)30-19(25)10-6-13-3-7-15(8-4-13)21(22,23)24/h3-11,18H,12H2,1-2H3,(H,26,27)/b10-6+	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	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429256 (CHEMBL2333263) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(F)cc2)C(O)=O)cc1OC Show InChI InChI=1S/C20H19FO6/c1-25-16-9-5-14(11-17(16)26-2)12-18(20(23)24)27-19(22)10-6-13-3-7-15(21)8-4-13/h3-11,18H,12H2,1-2H3,(H,23,24)/b10-6+	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	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429255 (CHEMBL2333264) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(Cl)cc2)C(O)=O)cc1OC Show InChI InChI=1S/C20H19ClO6/c1-25-16-9-5-14(11-17(16)26-2)12-18(20(23)24)27-19(22)10-6-13-3-7-15(21)8-4-13/h3-11,18H,12H2,1-2H3,(H,23,24)/b10-6+	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	4.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429259 (CHEMBL2333261) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccccc2)C(O)=O)cc1OC Show InChI InChI=1S/C20H20O6/c1-24-16-10-8-15(12-17(16)25-2)13-18(20(22)23)26-19(21)11-9-14-6-4-3-5-7-14/h3-12,18H,13H2,1-2H3,(H,22,23)/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429258 (CHEMBL2333262) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(C)cc2)C(O)=O)cc1OC Show InChI InChI=1S/C21H22O6/c1-14-4-6-15(7-5-14)9-11-20(22)27-19(21(23)24)13-16-8-10-17(25-2)18(12-16)26-3/h4-12,19H,13H2,1-3H3,(H,23,24)/b11-9+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429249 (CHEMBL2333270) Show SMILES COc1ccc(\C=C\C(=O)OC(Cc2ccc(OC)c(OC)c2)C(O)=O)cc1 Show InChI InChI=1S/C21H22O7/c1-25-16-8-4-14(5-9-16)7-11-20(22)28-19(21(23)24)13-15-6-10-17(26-2)18(12-15)27-3/h4-12,19H,13H2,1-3H3,(H,23,24)/b11-7+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429247 (CHEMBL2333272) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OC)c(OC)c2)C(O)=O)cc1OC Show InChI InChI=1S/C22H24O8/c1-26-16-8-5-14(11-18(16)28-3)7-10-21(23)30-20(22(24)25)13-15-6-9-17(27-2)19(12-15)29-4/h5-12,20H,13H2,1-4H3,(H,24,25)/b10-7+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429246 (CHEMBL2333274) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc3ccccc3c2)C(O)=O)cc1OC Show InChI InChI=1S/C24H22O6/c1-28-20-11-8-17(14-21(20)29-2)15-22(24(26)27)30-23(25)12-9-16-7-10-18-5-3-4-6-19(18)13-16/h3-14,22H,15H2,1-2H3,(H,26,27)/b12-9+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429245 (CHEMBL2333275) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc3CCOc3c2)C(O)=O)cc1OC Show InChI InChI=1S/C22H22O7/c1-26-17-7-4-15(12-19(17)27-2)13-20(22(24)25)29-21(23)8-5-14-3-6-16-9-10-28-18(16)11-14/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,24,25)/b8-5+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429238 (CHEMBL2333282) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)C(F)(F)F)C(=O)OCC=C)cc1OC Show InChI InChI=1S/C24H23F3O6/c1-4-13-32-23(29)21(15-17-7-11-19(30-2)20(14-17)31-3)33-22(28)12-8-16-5-9-18(10-6-16)24(25,26)27/h4-12,14,21H,1,13,15H2,2-3H3/b12-8+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429237 (CHEMBL2333283) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(Cl)cc2)C(=O)OCC=C)cc1OC Show InChI InChI=1S/C23H23ClO6/c1-4-13-29-23(26)21(15-17-7-11-19(27-2)20(14-17)28-3)30-22(25)12-8-16-5-9-18(24)10-6-16/h4-12,14,21H,1,13,15H2,2-3H3/b12-8+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429234 (CHEMBL2333286) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(=O)OCC=C)cc1OC Show InChI InChI=1S/C30H30O7/c1-4-18-35-30(32)28(20-24-12-16-26(33-2)27(19-24)34-3)37-29(31)17-13-22-10-14-25(15-11-22)36-21-23-8-6-5-7-9-23/h4-17,19,28H,1,18,20-21H2,2-3H3/b17-13+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429235 (CHEMBL2333285) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C(=O)OCC=C)cc1OC Show InChI InChI=1S/C23H23NO8/c1-4-13-31-23(26)21(15-17-7-11-19(29-2)20(14-17)30-3)32-22(25)12-8-16-5-9-18(10-6-16)24(27)28/h4-12,14,21H,1,13,15H2,2-3H3/b12-8+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50429236 (CHEMBL2333284) Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(Br)cc2)C(=O)OCC=C)cc1OC Show InChI InChI=1S/C23H23BrO6/c1-4-13-29-23(26)21(15-17-7-11-19(27-2)20(14-17)28-3)30-22(25)12-8-16-5-9-18(24)10-6-16/h4-12,14,21H,1,13,15H2,2-3H3/b12-8+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...				Eur J Med Chem 62: 148-57 (2013) Article DOI: 10.1016/j.ejmech.2012.09.047 BindingDB Entry DOI: 10.7270/Q2VQ341V
					More data for this Ligand-Target Pair