Compile Data Set for Download or QSAR

Found 3441 hits of ic50 for UniProtKB: P45452   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50025190 (CHEMBL3337899) Show SMILES COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)10-25-22(31)19-27-21(30)18-16(12-35-23(18)28-19)11-26-20(29)14-5-7-15(8-6-14)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50203953 (CHEMBL3932562) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(=O)NO |r| Show InChI InChI=1S/C27H27N5O6S/c1-16(2)23(26(34)31-36)32-39(37,38)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-27(35)24-29-22-9-4-3-8-21(22)25(33)30-24/h3-14,16,23,32,36H,15H2,1-2H3,(H,28,35)(H,31,34)(H,29,30,33)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50102750 (CHEMBL3359091) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C26H22FN3O6/c1-35-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)36-12-11-15-5-7-17(8-6-15)26(33)34/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.00390	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50102750 (CHEMBL3359091) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C26H22FN3O6/c1-35-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)36-12-11-15-5-7-17(8-6-15)26(33)34/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.00390	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50025188 (CHEMBL3337897) Show SMILES COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)11-25-22(31)20-27-21(30)19-15(12-35-23(19)28-20)10-18(29)26-16-7-5-14(6-8-16)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50389100 (CHEMBL2064547) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCF)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C17H24FN5O5S/c1-12(2)16(17(24)20-25)23(11-13-10-22(9-8-18)21-19-13)29(26,27)15-6-4-14(28-3)5-7-15/h4-7,10,12,16,25H,8-9,11H2,1-3H3,(H,20,24)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025160 (CHEMBL3337894) Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H21N3O6S/c1-32-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-17(13-34-23(19)27-20)12-33-11-14-5-7-16(8-6-14)24(30)31/h2-9,13H,10-12H2,1H3,(H,25,29)(H,30,31)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00690	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025192 (CHEMBL3337901) Show SMILES COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H20N4O6S/c1-34-16-4-2-3-14(9-16)11-26-22(31)19-27-21(30)18-17(12-35-23(18)28-19)20(29)25-10-13-5-7-15(8-6-13)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,29)(H,26,31)(H,32,33)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00770	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM12074 ((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r| Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of MMP13 (unknown origin)				Eur J Med Chem 60: 89-100 (2013) Article DOI: 10.1016/j.ejmech.2012.10.016 BindingDB Entry DOI: 10.7270/Q2MC91CR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11863 (4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM11863 (4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM11863 (4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50025184 (CHEMBL3337892) Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C(N)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H22N4O5S/c1-32-18-4-2-3-15(9-18)10-26-23(31)21-27-22(30)19-17(13-34-24(19)28-21)12-33-11-14-5-7-16(8-6-14)20(25)29/h2-9,13H,10-12H2,1H3,(H2,25,29)(H,26,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50096646 (2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...) Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025189 (CHEMBL3337898) Show SMILES COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccccc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C23H20N4O4S/c1-31-17-9-5-6-14(10-17)11-24-22(30)19-26-21(29)18-16(13-32-23(18)27-19)12-25-20(28)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025183 (CHEMBL3337891) Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C#N)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H20N4O4S/c1-31-19-4-2-3-17(9-19)11-26-23(30)21-27-22(29)20-18(14-33-24(20)28-21)13-32-12-16-7-5-15(10-25)6-8-16/h2-9,14H,11-13H2,1H3,(H,26,30)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50389101 (CHEMBL2064548) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C30H43N5O11S2/c1-23(2)29(30(36)32-37)35(47(38,39)27-11-7-26(42-4)8-12-27)22-25-21-34(33-31-25)13-14-43-15-16-44-17-18-45-19-20-46-48(40,41)28-9-5-24(3)6-10-28/h5-12,21,23,29,37H,13-20,22H2,1-4H3,(H,32,36)/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025194 (CHEMBL3337903) Show SMILES COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H20N4O6S/c1-34-16-4-2-3-14(9-16)11-25-22(31)20-27-21(30)19-17(12-35-23(19)28-20)26-18(29)10-13-5-7-15(8-6-13)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233896 (CHEMBL4087855) Show SMILES Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C24H19FN6O4S/c25-18-7-2-1-6-16(18)17-12-36-23-19(17)21(32)29-20(30-23)22(33)26-11-14-4-3-5-15(10-14)34-8-9-35-24-27-13-28-31-24/h1-7,10,12-13H,8-9,11H2,(H,26,33)(H,27,28,31)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0240	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233883 (CHEMBL4094620) Show SMILES COc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H22N6O5S/c1-34-17-6-3-5-16(11-17)19-13-37-24-20(19)22(32)29-21(30-24)23(33)26-12-15-4-2-7-18(10-15)35-8-9-36-25-27-14-28-31-25/h2-7,10-11,13-14H,8-9,12H2,1H3,(H,26,33)(H,27,28,31)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025191 (CHEMBL3337900) Show SMILES COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccccc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C23H20N4O4S/c1-31-16-9-5-8-15(10-16)12-25-22(30)19-26-21(29)18-17(13-32-23(18)27-19)20(28)24-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,24,28)(H,25,30)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233894 (CHEMBL4079123) Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H18N6O4S2/c29-19-17-15(16-5-2-8-33-16)11-34-21(17)27-18(26-19)20(30)23-10-13-3-1-4-14(9-13)31-6-7-32-22-24-12-25-28-22/h1-5,8-9,11-12H,6-7,10H2,(H,23,30)(H,24,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025187 (CHEMBL3337896) Show SMILES COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccccc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C23H20N4O4S/c1-31-17-9-5-6-14(10-17)12-24-22(30)20-26-21(29)19-15(13-32-23(19)27-20)11-18(28)25-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025185 (CHEMBL3337893) Show SMILES CNC(=O)c1ccc(COCc2csc3nc([nH]c(=O)c23)C(=O)NCc2cccc(OC)c2)cc1 Show InChI InChI=1S/C25H24N4O5S/c1-26-22(30)17-8-6-15(7-9-17)12-34-13-18-14-35-25-20(18)23(31)28-21(29-25)24(32)27-11-16-4-3-5-19(10-16)33-2/h3-10,14H,11-13H2,1-2H3,(H,26,30)(H,27,32)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50592894 (CHEMBL473539) Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50386430 (CHEMBL2047536) Show SMILES Cc1c2CC[C@H](NC(=O)c3cc(nc4ccnn34)C(=O)NCc3ccc4OCC(=O)Nc4c3)c2ccc1C(O)=O |r| Show InChI InChI=1S/C28H24N6O6/c1-14-16-5-6-19(18(16)4-3-17(14)28(38)39)33-27(37)22-11-21(31-24-8-9-30-34(22)24)26(36)29-12-15-2-7-23-20(10-15)32-25(35)13-40-23/h2-4,7-11,19H,5-6,12-13H2,1H3,(H,29,36)(H,32,35)(H,33,37)(H,38,39)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50386430 (CHEMBL2047536) Show SMILES Cc1c2CC[C@H](NC(=O)c3cc(nc4ccnn34)C(=O)NCc3ccc4OCC(=O)Nc4c3)c2ccc1C(O)=O |r| Show InChI InChI=1S/C28H24N6O6/c1-14-16-5-6-19(18(16)4-3-17(14)28(38)39)33-27(37)22-11-21(31-24-8-9-30-34(22)24)26(36)29-12-15-2-7-23-20(10-15)32-25(35)13-40-23/h2-4,7-11,19H,5-6,12-13H2,1H3,(H,29,36)(H,32,35)(H,33,37)(H,38,39)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Alantos Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using MCA-Pro-Cha-Gly-Nva-His-Ala-Dpa-NH2 as substrate preincubated for 10 mins measured by fluorescence analys...				J Med Chem 55: 709-16 (2012) Article DOI: 10.1021/jm201152u BindingDB Entry DOI: 10.7270/Q2668F73
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50102751 (CHEMBL3359090) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(N)cc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C25H23FN4O4/c1-33-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(26)22(21(20)24(31)30-23)34-12-11-15-5-7-17(27)8-6-15/h2-10,13H,11-12,14,27H2,1H3,(H,28,32)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025181 (CHEMBL3337889) Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(CO)cc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H23N3O5S/c1-31-19-4-2-3-17(9-19)10-25-23(30)21-26-22(29)20-18(14-33-24(20)27-21)13-32-12-16-7-5-15(11-28)6-8-16/h2-9,14,28H,10-13H2,1H3,(H,25,30)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233888 (CHEMBL4092215) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C20H20N6O3S2/c1-12-10-31-19-15(12)17(27)24-16(25-19)18(28)21-9-13-4-2-5-14(8-13)29-6-3-7-30-20-22-11-23-26-20/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.0330	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233878 (CHEMBL4059519) Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C24H20N6O4S/c31-21-19-18(16-6-2-1-3-7-16)13-35-23(19)29-20(28-21)22(32)25-12-15-5-4-8-17(11-15)33-9-10-34-24-26-14-27-30-24/h1-8,11,13-14H,9-10,12H2,(H,25,32)(H,26,27,30)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233877 (CHEMBL4068176) Show SMILES Fc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C24H19FN6O4S/c25-16-5-2-4-15(10-16)18-12-36-23-19(18)21(32)29-20(30-23)22(33)26-11-14-3-1-6-17(9-14)34-7-8-35-24-27-13-28-31-24/h1-6,9-10,12-13H,7-8,11H2,(H,26,33)(H,27,28,31)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0360	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50493272 (CHEMBL2425949) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1cc(CCCCOc2cccnc2F)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C25H33FN6O6S/c1-18(2)23(25(33)29-34)32(39(35,36)21-11-9-20(37-3)10-12-21)15-14-31-17-19(28-30-31)7-4-5-16-38-22-8-6-13-27-24(22)26/h6,8-13,17-18,23,34H,4-5,7,14-16H2,1-3H3,(H,29,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP-13 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 ...				J Med Chem 56: 6858-70 (2013) Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50389096 (CHEMBL2064549) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCF)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C23H36FN5O8S/c1-18(2)22(23(30)26-31)29(38(32,33)21-6-4-20(34-3)5-7-21)17-19-16-28(27-25-19)9-11-36-13-15-37-14-12-35-10-8-24/h4-7,16,18,22,31H,8-15,17H2,1-3H3,(H,26,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50102753 (CHEMBL3359088) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccccc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C25H22FN3O4/c1-32-18-9-5-8-17(14-18)15-27-25(31)23-28-20-11-10-19(26)22(21(20)24(30)29-23)33-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,27,31)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50493275 (CHEMBL2425941) Show SMILES CC(C)[C@@H](N(CC#N)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C15H20FN3O5S/c1-11(2)14(15(20)18-21)19(9-8-17)25(22,23)13-5-3-12(4-6-13)24-10-7-16/h3-6,11,14,21H,7,9-10H2,1-2H3,(H,18,20)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP-13 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 ...				J Med Chem 56: 6858-70 (2013) Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233895 (CHEMBL4103367) Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccsc3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H18N6O4S2/c29-19-17-16(14-4-7-33-10-14)11-34-21(17)27-18(26-19)20(30)23-9-13-2-1-3-15(8-13)31-5-6-32-22-24-12-25-28-22/h1-4,7-8,10-12H,5-6,9H2,(H,23,30)(H,24,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224846 (4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...) Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-2-4-18(5-3-17)22-16-38-24(31-22)19-6-9-21(10-7-19)39-23-11-8-20(15-30-23)34-13-1-12-28(34)25(35)32-27(37)33-26(28)36/h2-11,15-16H,1,12-13H2,(H2,32,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50493278 (CHEMBL2425947) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1cc(CCCF)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C19H28FN5O5S/c1-14(2)18(19(26)22-27)25(12-11-24-13-15(21-23-24)5-4-10-20)31(28,29)17-8-6-16(30-3)7-9-17/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP-13 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 ...				J Med Chem 56: 6858-70 (2013) Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357018 (CHEMBL1914483) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C18H28N2O6S/c1-12(2)7-8-20(17(13(3)4)18(21)19-22)27(23,24)14-5-6-15-16(11-14)26-10-9-25-15/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50204002 (CHEMBL3889936) Show SMILES CC(C)C(CS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)N(O)C=O Show InChI InChI=1S/C28H28N4O6S/c1-18(2)25(32(36)17-33)16-39(37,38)22-12-10-20(11-13-22)21-7-5-6-19(14-21)15-29-28(35)26-30-24-9-4-3-8-23(24)27(34)31-26/h3-14,17-18,25,36H,15-16H2,1-2H3,(H,29,35)(H,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50203961 (CHEMBL3958969) Show SMILES ONC(=O)C1CCCCN1S(=O)(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C25H29N5O7S/c31-23-19-9-1-2-10-20(19)27-22(28-23)25(33)26-16-17-7-5-8-18(15-17)37-13-6-14-38(35,36)30-12-4-3-11-21(30)24(32)29-34/h1-2,5,7-10,15,21,34H,3-4,6,11-14,16H2,(H,26,33)(H,29,32)(H,27,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025193 (CHEMBL3337902) Show SMILES COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccccc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C23H20N4O4S/c1-31-16-9-5-8-15(10-16)12-24-22(30)20-26-21(29)19-17(13-32-23(19)27-20)25-18(28)11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0530	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233880 (CHEMBL4090287) Show SMILES Clc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C24H19ClN6O4S/c25-18-7-2-1-6-16(18)17-12-36-23-19(17)21(32)29-20(30-23)22(33)26-11-14-4-3-5-15(10-14)34-8-9-35-24-27-13-28-31-24/h1-7,10,12-13H,8-9,11H2,(H,26,33)(H,27,28,31)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0540	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233901 (CHEMBL4069240) Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C24H19ClN6O4S/c25-16-5-2-4-15(10-16)18-12-36-23-19(18)21(32)29-20(30-23)22(33)26-11-14-3-1-6-17(9-14)34-7-8-35-24-27-13-28-31-24/h1-6,9-10,12-13H,7-8,11H2,(H,26,33)(H,27,28,31)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.0570	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233886 (CHEMBL4078492) Show SMILES Clc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H21ClN6O4S/c26-19-8-2-1-7-17(19)18-13-37-24-20(18)22(33)30-21(31-24)23(34)27-12-15-5-3-6-16(11-15)35-9-4-10-36-25-28-14-29-32-25/h1-3,5-8,11,13-14H,4,9-10,12H2,(H,27,34)(H,28,29,32)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0590	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM24025 ((2R)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of MMP13 (unknown origin)				Eur J Med Chem 60: 89-100 (2013) Article DOI: 10.1016/j.ejmech.2012.10.016 BindingDB Entry DOI: 10.7270/Q2MC91CR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233884 (CHEMBL4086342) Show SMILES Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H21FN6O4S/c26-19-8-2-1-7-17(19)18-13-37-24-20(18)22(33)30-21(31-24)23(34)27-12-15-5-3-6-16(11-15)35-9-4-10-36-25-28-14-29-32-25/h1-3,5-8,11,13-14H,4,9-10,12H2,(H,27,34)(H,28,29,32)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50233892 (CHEMBL4068241) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C19H18N6O4S/c1-11-9-30-18-14(11)16(26)23-15(24-18)17(27)20-8-12-3-2-4-13(7-12)28-5-6-29-19-21-10-22-25-19/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,27)(H,21,22,25)(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50493269 (CHEMBL2425936) Show SMILES CC(C)[C@@H](N(CCn1cc(CCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C20H29F2N5O5S/c1-15(2)19(20(28)24-29)27(12-11-26-14-16(23-25-26)4-3-9-21)33(30,31)18-7-5-17(6-8-18)32-13-10-22/h5-8,14-15,19,29H,3-4,9-13H2,1-2H3,(H,24,28)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP-13 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 ...				J Med Chem 56: 6858-70 (2013) Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J
					More data for this Ligand-Target Pair

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