BDBM54227 3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile::3-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile::3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile::3-[(6-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]propanenitrile::3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)thio]propionitrile::MLS000591837::SMR000218463::cid_1858684

SMILES: CCc1c(C)nc2ccc(Br)cc2c1SCCC#N

InChI Key: InChIKey=QBNDDWFCFOOBGM-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 54227   

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
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM54227 (3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...) Show SMILES CCc1c(C)nc2ccc(Br)cc2c1SCCC#N Show InChI InChI=1S/C15H15BrN2S/c1-3-12-10(2)18-14-6-5-11(16)9-13(14)15(12)19-8-4-7-17/h5-6,9H,3-4,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.74E+3	n/a	n/a	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 (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54227 (3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...) Show SMILES CCc1c(C)nc2ccc(Br)cc2c1SCCC#N Show InChI InChI=1S/C15H15BrN2S/c1-3-12-10(2)18-14-6-5-11(16)9-13(14)15(12)19-8-4-7-17/h5-6,9H,3-4,8H2,1-2H3	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	1.29E+3	n/a	n/a	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 (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54227 (3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...) Show SMILES CCc1c(C)nc2ccc(Br)cc2c1SCCC#N Show InChI InChI=1S/C15H15BrN2S/c1-3-12-10(2)18-14-6-5-11(16)9-13(14)15(12)19-8-4-7-17/h5-6,9H,3-4,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.05E+3	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 (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair