BDBM50102817 CHEMBL3359060

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

InChI Key: InChIKey=REMCEJAOJUCELM-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 = 50102817   

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))	BDBM50102817 (CHEMBL3359060) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)C(F)(F)F)c1 Show InChI InChI=1S/C18H14F3N3O3/c1-27-12-4-2-3-10(7-12)9-22-17(26)15-23-14-6-5-11(18(19,20)21)8-13(14)16(25)24-15/h2-8H,9H2,1H3,(H,22,26)(H,23,24,25)	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	97	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