Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50247539'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin)				Bioorg Med Chem 16: 5398-404 (2008) Article DOI: 10.1016/j.bmc.2008.04.027 BindingDB Entry DOI: 10.7270/Q22B8XTN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay				Bioorg Med Chem 16: 7932-8 (2008) Article DOI: 10.1016/j.bmc.2008.07.073 BindingDB Entry DOI: 10.7270/Q2MP533K
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay				Eur J Med Chem 43: 2130-9 (2008) Article DOI: 10.1016/j.ejmech.2007.12.020 BindingDB Entry DOI: 10.7270/Q22J6BNP
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	266	n/a	n/a	n/a	n/a	n/a	n/a
Weifang Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 catalytic domain (Tyr110 to Asp452 residues) preincubated for 45 mins followed by Mea-Pro-Leu-Gly-Leu-Dap(Dnp)-A...				Bioorg Med Chem 26: 4363-4374 (2018) Article DOI: 10.1016/j.bmc.2018.06.023 BindingDB Entry DOI: 10.7270/Q2251MV0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	950	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...				Bioorg Med Chem 22: 3055-64 (2014) Article DOI: 10.1016/j.bmc.2013.12.025 BindingDB Entry DOI: 10.7270/Q29888JP
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 18: 1516-25 (2010) Article DOI: 10.1016/j.bmc.2010.01.008 BindingDB Entry DOI: 10.7270/Q2765FDH
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	5.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate				Bioorg Med Chem 24: 2125-36 (2016) Article DOI: 10.1016/j.bmc.2016.03.043 BindingDB Entry DOI: 10.7270/Q28S4RSZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247539 (CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...) Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r| Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1	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	4.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...				Bioorg Med Chem 22: 3055-64 (2014) Article DOI: 10.1016/j.bmc.2013.12.025 BindingDB Entry DOI: 10.7270/Q29888JP
					More data for this Ligand-Target Pair