BDBM50523895 CHEMBL4522121

SMILES: ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1

InChI Key: InChIKey=BEQHTXZKGHKYDJ-SKCDSABHSA-N

Data: 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 2 hits for monomerid = 50523895   

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))	BDBM50523895 (CHEMBL4522121) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C28H29N3O7S/c32-26(21-11-9-19(10-12-21)17-29-28(34)38-18-20-5-2-1-3-6-20)30-22-13-15-23(16-14-22)39(36,37)25-8-4-7-24(25)27(33)31-35/h1-3,5-6,9-16,24-25,35H,4,7-8,17-18H2,(H,29,34)(H,30,32)(H,31,33)/t24-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523895 (CHEMBL4522121) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C28H29N3O7S/c32-26(21-11-9-19(10-12-21)17-29-28(34)38-18-20-5-2-1-3-6-20)30-22-13-15-23(16-14-22)39(36,37)25-8-4-7-24(25)27(33)31-35/h1-3,5-6,9-16,24-25,35H,4,7-8,17-18H2,(H,29,34)(H,30,32)(H,31,33)/t24-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measur...				Bioorg Med Chem 27: 1891-1902 (2019) Article DOI: 10.1016/j.bmc.2019.03.043
					More data for this Ligand-Target Pair