Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50049066   

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
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))	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))	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
72 kDa type IV collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0290	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-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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))	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))	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))	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))	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))	BDBM50233897 (CHEMBL4064516) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C19H18N6O3S2/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 Similars	Article PubMed	n/a	n/a	0.0740	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))	BDBM50203958 (CHEMBL3965628) Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H21ClN6O4S/c26-17-6-2-5-16(11-17)19-13-37-24-20(19)22(33)30-21(31-24)23(34)27-12-15-4-1-7-18(10-15)35-8-3-9-36-25-28-14-29-32-25/h1-2,4-7,10-11,13-14H,3,8-9,12H2,(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 Similars	Article PubMed	n/a	n/a	0.0780	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))	BDBM50233903 (CHEMBL4084468) Show SMILES CC(C)c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C21H22N6O4S/c1-12(2)15-10-32-20-16(15)18(28)25-17(26-20)19(29)22-9-13-4-3-5-14(8-13)30-6-7-31-21-23-11-24-27-21/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,22,29)(H,23,24,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0910	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))	BDBM50233879 (CHEMBL4095557) Show SMILES Fc1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C24H19FN6O4S/c25-16-6-4-15(5-7-16)18-12-36-23-19(18)21(32)29-20(30-23)22(33)26-11-14-2-1-3-17(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	0.0930	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
Neutrophil collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0970	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-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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))	BDBM50233902 (CHEMBL4074089) Show SMILES COc1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H22N6O5S/c1-34-17-7-5-16(6-8-17)19-13-37-24-20(19)22(32)29-21(30-24)23(33)26-12-15-3-2-4-18(11-15)35-9-10-36-25-27-14-28-31-25/h2-8,11,13-14H,9-10,12H2,1H3,(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 Similars	Article PubMed	n/a	n/a	0.100	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
Matrix metalloproteinase-9 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.110	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-9 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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))	BDBM50233885 (CHEMBL4104248) Show SMILES Fc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H21FN6O4S/c26-17-6-2-5-16(11-17)19-13-37-24-20(19)22(33)30-21(31-24)23(34)27-12-15-4-1-7-18(10-15)35-8-3-9-36-25-28-14-29-32-25/h1-2,4-7,10-11,13-14H,3,8-9,12H2,(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	0.140	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))	BDBM50233900 (CHEMBL4083954) Show SMILES O=C(NCc1cccc(OCCSc2nc[nH]n2)c1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N6O3S/c27-18-15-6-1-2-7-16(15)24-17(25-18)19(28)21-11-13-4-3-5-14(10-13)29-8-9-30-20-22-12-23-26-20/h1-7,10,12H,8-9,11H2,(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 PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	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))	BDBM50233882 (CHEMBL4079974) Show SMILES COc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H22N6O5S/c1-34-19-8-3-2-7-17(19)18-13-37-24-20(18)22(32)29-21(30-24)23(33)26-12-15-5-4-6-16(11-15)35-9-10-36-25-27-14-28-31-25/h2-8,11,13-14H,9-10,12H2,1H3,(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 Similars	Article PubMed	n/a	n/a	0.290	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))	BDBM50233893 (CHEMBL4102420) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(NC(=O)CCc2nc[nH]n2)c1 Show InChI InChI=1S/C20H19N7O3S/c1-11-9-31-20-16(11)18(29)25-17(26-20)19(30)21-8-12-3-2-4-13(7-12)24-15(28)6-5-14-22-10-23-27-14/h2-4,7,9-10H,5-6,8H2,1H3,(H,21,30)(H,24,28)(H,22,23,27)(H,25,26,29)	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	0.290	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
Stromelysin-1 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	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-3 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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))	BDBM50233881 (CHEMBL4098001) Show SMILES Clc1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C24H19ClN6O4S/c25-16-6-4-15(5-7-16)18-12-36-23-19(18)21(32)29-20(30-23)22(33)26-11-14-2-1-3-17(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 Similars	Article PubMed	n/a	n/a	0.440	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
Stromelysin-2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.540	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-10 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
Matrix metalloproteinase-14 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	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 GST-tagged MMP-14 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofl...				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))	BDBM50233890 (CHEMBL4094673) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(CNC(=O)c2nc[nH]n2)c1 Show InChI InChI=1S/C19H17N7O3S/c1-10-8-30-19-13(10)16(27)24-15(25-19)18(29)21-7-12-4-2-3-11(5-12)6-20-17(28)14-22-9-23-26-14/h2-5,8-9H,6-7H2,1H3,(H,20,28)(H,21,29)(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	1.5	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))	BDBM50233898 (CHEMBL4103797) Show SMILES ONC(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C20H20N4O5/c25-17(24-28)9-4-10-29-14-6-3-5-13(11-14)12-21-20(27)18-22-16-8-2-1-7-15(16)19(26)23-18/h1-3,5-8,11,28H,4,9-10,12H2,(H,21,27)(H,24,25)(H,22,23,26)	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	1.60	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))	BDBM50233889 (CHEMBL4073102) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C21H22N6O3S2/c1-13-11-32-20-16(13)18(28)25-17(26-20)19(29)22-10-14-5-4-6-15(9-14)30-7-2-3-8-31-21-23-12-24-27-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,22,29)(H,23,24,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	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))	BDBM50233891 (CHEMBL4074167) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(CNC(=O)Cc2nc[nH]n2)c1 Show InChI InChI=1S/C20H19N7O3S/c1-11-9-31-20-16(11)18(29)25-17(26-20)19(30)22-8-13-4-2-3-12(5-13)7-21-15(28)6-14-23-10-24-27-14/h2-5,9-10H,6-8H2,1H3,(H,21,28)(H,22,30)(H,23,24,27)(H,25,26,29)	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	4.90	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))	BDBM50233904 (CHEMBL4073581) Show SMILES OC(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C20H19N3O5/c24-17(25)9-4-10-28-14-6-3-5-13(11-14)12-21-20(27)18-22-16-8-2-1-7-15(16)19(26)23-18/h1-3,5-8,11H,4,9-10,12H2,(H,21,27)(H,24,25)(H,22,23,26)	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	9.40	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
Neutrophil collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	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-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
Disintegrin and metalloproteinase domain-containing protein 17 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TACE (unknown origin) using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 peptide as substrate measured after 40 mins by spect...				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
72 kDa type IV collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	14	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-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
Neutrophil collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	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-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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))	BDBM50233899 (CHEMBL4100406) Show SMILES CCOC(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H23N3O5/c1-2-29-19(26)11-6-12-30-16-8-5-7-15(13-16)14-23-22(28)20-24-18-10-4-3-9-17(18)21(27)25-20/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,28)(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	29	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
Stromelysin-2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	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-10 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
Interstitial collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	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-1 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
Stromelysin-2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	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-10 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
72 kDa type IV collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	62	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-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50233893 (CHEMBL4102420) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(NC(=O)CCc2nc[nH]n2)c1 Show InChI InChI=1S/C20H19N7O3S/c1-11-9-31-20-16(11)18(29)25-17(26-20)19(30)21-8-12-3-2-4-13(7-12)24-15(28)6-5-14-22-10-23-27-14/h2-4,7,9-10H,5-6,8H2,1H3,(H,21,30)(H,24,28)(H,22,23,27)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	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-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50233900 (CHEMBL4083954) Show SMILES O=C(NCc1cccc(OCCSc2nc[nH]n2)c1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N6O3S/c27-18-15-6-1-2-7-16(15)24-17(25-18)19(28)21-11-13-4-3-5-14(10-13)29-8-9-30-20-22-12-23-26-20/h1-7,10,12H,8-9,11H2,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	83	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-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50233890 (CHEMBL4094673) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(CNC(=O)c2nc[nH]n2)c1 Show InChI InChI=1S/C19H17N7O3S/c1-10-8-30-19-13(10)16(27)24-15(25-19)18(29)21-7-12-4-2-3-11(5-12)6-20-17(28)14-22-9-23-26-14/h2-5,8-9H,6-7H2,1H3,(H,20,28)(H,21,29)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	110	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-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
Stromelysin-2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	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-10 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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50233900 (CHEMBL4083954) Show SMILES O=C(NCc1cccc(OCCSc2nc[nH]n2)c1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N6O3S/c27-18-15-6-1-2-7-16(15)24-17(25-18)19(28)21-11-13-4-3-5-14(10-13)29-8-9-30-20-22-12-23-26-20/h1-7,10,12H,8-9,11H2,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	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-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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
Stromelysin-2 (Homo sapiens (Human))	BDBM50233900 (CHEMBL4083954) Show SMILES O=C(NCc1cccc(OCCSc2nc[nH]n2)c1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N6O3S/c27-18-15-6-1-2-7-16(15)24-17(25-18)19(28)21-11-13-4-3-5-14(10-13)29-8-9-30-20-22-12-23-26-20/h1-7,10,12H,8-9,11H2,(H,21,28)(H,22,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	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-10 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
72 kDa type IV collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				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

Displayed 1 to 50 (of 86 total )  |  Next  |  Last  >>

Jump to: