BDBM50264811 CHEMBL485492::N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide::US10357546, ND-364

SMILES: CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1

InChI Key: InChIKey=QNKSDDQPRLWOEC-UHFFFAOYSA-N

Data: 15 KI  2 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 17 hits for monomerid = 50264811   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	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	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame du Lac US Patent					Assay Description Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...				US Patent US10357546 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5K03
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 catalytic domain assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry				J Med Chem 54: 6676-90 (2011) Article DOI: 10.1021/jm200566e BindingDB Entry DOI: 10.7270/Q2D79BSM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry				J Med Chem 54: 6676-90 (2011) Article DOI: 10.1021/jm200566e BindingDB Entry DOI: 10.7270/Q2D79BSM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry				J Med Chem 54: 6676-90 (2011) Article DOI: 10.1021/jm200566e BindingDB Entry DOI: 10.7270/Q2D79BSM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame du Lac US Patent					Assay Description Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...				US Patent US10357546 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5K03
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry				J Med Chem 54: 6676-90 (2011) Article DOI: 10.1021/jm200566e BindingDB Entry DOI: 10.7270/Q2D79BSM
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP3 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry				J Med Chem 54: 6676-90 (2011) Article DOI: 10.1021/jm200566e BindingDB Entry DOI: 10.7270/Q2D79BSM
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP7 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry				J Med Chem 54: 6676-90 (2011) Article DOI: 10.1021/jm200566e BindingDB Entry DOI: 10.7270/Q2D79BSM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	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	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry				J Med Chem 54: 6676-90 (2011) Article DOI: 10.1021/jm200566e BindingDB Entry DOI: 10.7270/Q2D79BSM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...				Bioorg Med Chem 23: 6632-40 (2015) BindingDB Entry DOI: 10.7270/Q29025M9
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50264811 (CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...				Bioorg Med Chem 23: 6632-40 (2015) BindingDB Entry DOI: 10.7270/Q29025M9
					More data for this Ligand-Target Pair