BDBM50025181 CHEMBL3337889

SMILES: COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(CO)cc4)c3c(=O)[nH]2)c1

InChI Key: InChIKey=VLLLXGJPGWTEHU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50025181   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50025181 (CHEMBL3337889) Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(CO)cc4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H23N3O5S/c1-31-19-4-2-3-17(9-19)10-25-23(30)21-26-22(29)20-18(14-33-24(20)27-21)13-32-12-16-7-5-15(11-28)6-8-16/h2-9,14,28H,10-13H2,1H3,(H,25,30)(H,26,27,29)	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	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair