BDBM50025167 CHEMBL3337873

SMILES: COc1cccc(CNCc2nc3ccc(C)cc3c(=O)[nH]2)c1

InChI Key: InChIKey=QGDJZPKWNFFIOT-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 = 50025167   

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))	BDBM50025167 (CHEMBL3337873) Show SMILES COc1cccc(CNCc2nc3ccc(C)cc3c(=O)[nH]2)c1 Show InChI InChI=1S/C18H19N3O2/c1-12-6-7-16-15(8-12)18(22)21-17(20-16)11-19-10-13-4-3-5-14(9-13)23-2/h3-9,19H,10-11H2,1-2H3,(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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair