BDBM39430 (3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic acid methyl ester::2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetic acid methyl ester::2-[(3-cyano-7-methyl-2-quinolyl)thio]acetic acid methyl ester::MLS000072526::SMR000001652::cid_654307::methyl 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoate::methyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate

SMILES: COC(=O)CSc1nc2cc(C)ccc2cc1C#N

InChI Key: InChIKey=JDQNOEQHJFRTMF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 39430   

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
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM39430 ((3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic ac...) Show SMILES COC(=O)CSc1nc2cc(C)ccc2cc1C#N Show InChI InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	746	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/Q23T9FMP
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39430 ((3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic ac...) Show SMILES COC(=O)CSc1nc2cc(C)ccc2cc1C#N Show InChI InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.22E+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 (2007) BindingDB Entry DOI: 10.7270/Q24T6GSH
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 10B (Homo sapiens (Human))	BDBM39430 ((3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic ac...) Show SMILES COC(=O)CSc1nc2cc(C)ccc2cc1C#N Show InChI InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2P55M4P
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM39430 ((3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic ac...) Show SMILES COC(=O)CSc1nc2cc(C)ccc2cc1C#N Show InChI InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM39430 ((3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic ac...) Show SMILES COC(=O)CSc1nc2cc(C)ccc2cc1C#N Show InChI InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM39430 ((3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic ac...) Show SMILES COC(=O)CSc1nc2cc(C)ccc2cc1C#N Show InChI InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3	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	6.53E+3	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