BDBM50247462 CHEMBL516952::N1,N3-bis(benzo[d][1,3]dioxol-5-ylmethyl)isophthalamide::cid_1016400

SMILES: O=C(NCc1ccc2OCOc2c1)c1cccc(c1)C(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=PQDSLWSIZBTHRV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50247462   

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))	BDBM50247462 (CHEMBL516952 | N1,N3-bis(benzo[d][1,3]dioxol-5-ylm...) Show SMILES O=C(NCc1ccc2OCOc2c1)c1cccc(c1)C(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C24H20N2O6/c27-23(25-11-15-4-6-19-21(8-15)31-13-29-19)17-2-1-3-18(10-17)24(28)26-12-16-5-7-20-22(9-16)32-14-30-20/h1-10H,11-14H2,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli				Bioorg Med Chem 17: 990-1005 (2009) Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50247462 (CHEMBL516952 | N1,N3-bis(benzo[d][1,3]dioxol-5-ylm...) Show SMILES O=C(NCc1ccc2OCOc2c1)c1cccc(c1)C(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C24H20N2O6/c27-23(25-11-15-4-6-19-21(8-15)31-13-29-19)17-2-1-3-18(10-17)24(28)26-12-16-5-7-20-22(9-16)32-14-30-20/h1-10H,11-14H2,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2JW8C95
					More data for this Ligand-Target Pair