BDBM50523897 CHEMBL4531635

SMILES: ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=YKYLIBIHPXSXED-ZENAZSQFSA-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 = 50523897   

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))	BDBM50523897 (CHEMBL4531635) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H22N2O6S/c23-19(22-25)17-7-4-8-18(17)29(26,27)16-11-9-15(10-12-16)21-20(24)28-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,24)(H,22,23)/t17-,18?/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	2.40	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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50523897 (CHEMBL4531635) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H22N2O6S/c23-19(22-25)17-7-4-8-18(17)29(26,27)16-11-9-15(10-12-16)21-20(24)28-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,24)(H,22,23)/t17-,18?/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	520	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