BDBM50233899 CHEMBL4100406

SMILES: CCOC(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1

InChI Key: InChIKey=GQKMHHYTBOAOQI-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 = 50233899   

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))	BDBM50233899 (CHEMBL4100406) Show SMILES CCOC(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H23N3O5/c1-2-29-19(26)11-6-12-30-16-8-5-7-15(13-16)14-23-22(28)20-24-18-10-4-3-9-17(18)21(27)25-20/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,28)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair