BDBM50203961 CHEMBL3958969

SMILES: ONC(=O)C1CCCCN1S(=O)(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1

InChI Key: InChIKey=JGWTVBVOISUVJD-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 = 50203961   

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
Stromelysin-1 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	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
Disintegrin and metalloproteinase domain-containing protein 17 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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
Matrix metalloproteinase-14 (MMP14) (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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
Neutrophil collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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
72 kDa type IV collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	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 10 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 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
Interstitial collagenase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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
Matrix metalloproteinase-12 (MMP12) (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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
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
Matrix metalloproteinase-9 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	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