BDBM42891 (7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)-acetic acid methyl ester::2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid methyl ester::MLS000032027::SMR000004812::cid_651585::methyl 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetate::methyl 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanoate

SMILES: COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N

InChI Key: InChIKey=OAHFVOHJAPTOMZ-UHFFFAOYSA-N

Data: 4 EC50

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 4 hits for monomerid = 42891   

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
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM42891 ((7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)...) Show SMILES COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N Show InChI InChI=1S/C14H10N2O4S/c1-18-13(17)6-21-14-9(5-15)2-8-3-11-12(20-7-19-11)4-10(8)16-14/h2-4H,6-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.25E+3	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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2707ZV7
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM42891 ((7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)...) Show SMILES COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N Show InChI InChI=1S/C14H10N2O4S/c1-18-13(17)6-21-14-9(5-15)2-8-3-11-12(20-7-19-11)4-10(8)16-14/h2-4H,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	997	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7
					More data for this Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1 (Homo sapiens (Human))	BDBM42891 ((7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)...) Show SMILES COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N Show InChI InChI=1S/C14H10N2O4S/c1-18-13(17)6-21-14-9(5-15)2-8-3-11-12(20-7-19-11)4-10(8)16-14/h2-4H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.89E+3	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 (2008) BindingDB Entry DOI: 10.7270/Q2FT8JGV
					More data for this Ligand-Target Pair
NCOA2 protein (Homo sapiens (Human))	BDBM42891 ((7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)...) Show SMILES COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N Show InChI InChI=1S/C14H10N2O4S/c1-18-13(17)6-21-14-9(5-15)2-8-3-11-12(20-7-19-11)4-10(8)16-14/h2-4H,6-7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.17E+3	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 (2008) BindingDB Entry DOI: 10.7270/Q2QZ28CS
					More data for this Ligand-Target Pair