BDBM50523890 CHEMBL4444377

SMILES: ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(cc1)C#Cc1ccccc1

InChI Key: InChIKey=GDIVQVJILGFMET-OYKVQYDMSA-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 = 50523890   

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))	BDBM50523890 (CHEMBL4444377) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19NO4S/c22-20(21-23)18-7-4-8-19(18)26(24,25)17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-14,18-19,23H,4,7-8H2,(H,21,22)/t18-,19?/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	0.910	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))	BDBM50523890 (CHEMBL4444377) Show SMILES ONC(=O)[C@H]1CCCC1S(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19NO4S/c22-20(21-23)18-7-4-8-19(18)26(24,25)17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-14,18-19,23H,4,7-8H2,(H,21,22)/t18-,19?/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	0.280	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