BDBM50204007 CHEMBL3926071

SMILES: CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O

InChI Key: InChIKey=UGWWPGUNBPZMDD-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50204007   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB 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	1.60E+3	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 MMP9 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))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	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	0.230	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB 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	56	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 MMP8 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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	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 GST-tagged MMP14 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
Interstitial collagenase (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB 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	>1.00E+4	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 MMP1 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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	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 TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 as substrate measured after 40 mins by spectrofluor...				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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	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 MMP2 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
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB 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	540	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 MMP12 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
Matrix metalloproteinase 10 (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB 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	930	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 MMP10 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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB 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	>1.00E+4	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 MMP7 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
Stromelysin-1 (Homo sapiens (Human))	BDBM50204007 (CHEMBL3926071) Show SMILES CCOCCC1(Oc2ccc(cc2)-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H27N5O7/c1-2-41-15-14-30(27(38)34-29(40)35-28(30)39)42-21-12-10-19(11-13-21)20-7-5-6-18(16-20)17-31-26(37)24-32-23-9-4-3-8-22(23)25(36)33-24/h3-13,16H,2,14-15,17H2,1H3,(H,31,37)(H,32,33,36)(H2,34,35,38,39,40)	PDB MMDB 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	3.30E+3	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 MMP3 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