BDBM50102805 CHEMBL3359068

SMILES: COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)C#N)c1

InChI Key: InChIKey=CHFPYKCGXBJWBP-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 = 50102805   

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))	BDBM50102805 (CHEMBL3359068) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)C#N)c1 Show InChI InChI=1S/C18H14N4O3/c1-25-13-4-2-3-12(7-13)10-20-18(24)16-21-15-6-5-11(9-19)8-14(15)17(23)22-16/h2-8H,10H2,1H3,(H,20,24)(H,21,22,23)	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	6.30	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