BDBM50418811 CHEMBL1796281

SMILES: COc1cccc(CNC(=O)c2ccc(Oc3ccc(C)cc3)cc2)c1

InChI Key: InChIKey=GPGZQMJRLDYJCL-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 = 50418811   

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))	BDBM50418811 (CHEMBL1796281) Show SMILES COc1cccc(CNC(=O)c2ccc(Oc3ccc(C)cc3)cc2)c1 Show InChI InChI=1S/C22H21NO3/c1-16-6-10-19(11-7-16)26-20-12-8-18(9-13-20)22(24)23-15-17-4-3-5-21(14-17)25-2/h3-14H,15H2,1-2H3,(H,23,24)	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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate				Bioorg Med Chem Lett 21: 4215-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.075 BindingDB Entry DOI: 10.7270/Q2WH2R89
					More data for this Ligand-Target Pair