BDBM50102758 CHEMBL3359086

SMILES: COc1cccc(CNC(=O)c2nc3cccc(OCCC4CCCCC4)c3c(=O)[nH]2)c1

InChI Key: InChIKey=RPWSTFIWKPQTIS-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 = 50102758   

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))	BDBM50102758 (CHEMBL3359086) Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OCCC4CCCCC4)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C25H29N3O4/c1-31-19-10-5-9-18(15-19)16-26-25(30)23-27-20-11-6-12-21(22(20)24(29)28-23)32-14-13-17-7-3-2-4-8-17/h5-6,9-12,15,17H,2-4,7-8,13-14,16H2,1H3,(H,26,30)(H,27,28,29)	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	0.990	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