BDBM50102809 CHEMBL3359065

SMILES: COc1cccc(CNC(=O)c2nc3ccc(SC)cc3c(=O)[nH]2)c1

InChI Key: InChIKey=GGHZJASRBSUJRQ-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 = 50102809   

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))	BDBM50102809 (CHEMBL3359065) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(SC)cc3c(=O)[nH]2)c1 Show InChI InChI=1S/C18H17N3O3S/c1-24-12-5-3-4-11(8-12)10-19-18(23)16-20-15-7-6-13(25-2)9-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
					More data for this Ligand-Target Pair