BDBM50203962 CHEMBL3917494

SMILES: CC(C)C(CS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)N(O)C(N)=O

InChI Key: InChIKey=VKESMHHXVWGWQQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50203962   

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))	BDBM50203962 (CHEMBL3917494) Show SMILES CC(C)C(CS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)N(O)C(N)=O Show InChI InChI=1S/C28H29N5O6S/c1-17(2)24(33(37)28(29)36)16-40(38,39)21-12-10-19(11-13-21)20-7-5-6-18(14-20)15-30-27(35)25-31-23-9-4-3-8-22(23)26(34)32-25/h3-14,17,24,37H,15-16H2,1-2H3,(H2,29,36)(H,30,35)(H,31,32,34)	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	<10	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50203962 (CHEMBL3917494) Show SMILES CC(C)C(CS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)N(O)C(N)=O Show InChI InChI=1S/C28H29N5O6S/c1-17(2)24(33(37)28(29)36)16-40(38,39)21-12-10-19(11-13-21)20-7-5-6-18(14-20)15-30-27(35)25-31-23-9-4-3-8-22(23)26(34)32-25/h3-14,17,24,37H,15-16H2,1-2H3,(H2,29,36)(H,30,35)(H,31,32,34)	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	19	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 10 (Homo sapiens (Human))	BDBM50203962 (CHEMBL3917494) Show SMILES CC(C)C(CS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)N(O)C(N)=O Show InChI InChI=1S/C28H29N5O6S/c1-17(2)24(33(37)28(29)36)16-40(38,39)21-12-10-19(11-13-21)20-7-5-6-18(14-20)15-30-27(35)25-31-23-9-4-3-8-22(23)26(34)32-25/h3-14,17,24,37H,15-16H2,1-2H3,(H2,29,36)(H,30,35)(H,31,32,34)	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	<10	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
Collagenase 3 (Homo sapiens (Human))	BDBM50203962 (CHEMBL3917494) Show SMILES CC(C)C(CS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)N(O)C(N)=O Show InChI InChI=1S/C28H29N5O6S/c1-17(2)24(33(37)28(29)36)16-40(38,39)21-12-10-19(11-13-21)20-7-5-6-18(14-20)15-30-27(35)25-31-23-9-4-3-8-22(23)26(34)32-25/h3-14,17,24,37H,15-16H2,1-2H3,(H2,29,36)(H,30,35)(H,31,32,34)	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	0.260	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