BDBM87280 3-(2-Methyl-3-propyl-quinolin-4-ylsulfanyl)-propionitrile::3-(2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanenitrile::3-(2-methyl-3-propylquinolin-4-yl)sulfanylpropanenitrile::3-[(2-methyl-3-propyl-4-quinolinyl)thio]propanenitrile::3-[(2-methyl-3-propyl-4-quinolyl)thio]propionitrile::MLS000591729::SMR000218763::cid_1948928

SMILES: CCCc1c(C)nc2ccccc2c1SCCC#N

InChI Key: InChIKey=UXAZZNSVAIKCLL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 87280   

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
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM87280 (3-(2-Methyl-3-propyl-quinolin-4-ylsulfanyl)-propio...) Show SMILES CCCc1c(C)nc2ccccc2c1SCCC#N Show InChI InChI=1S/C16H18N2S/c1-3-7-13-12(2)18-15-9-5-4-8-14(15)16(13)19-11-6-10-17/h4-5,8-9H,3,6-7,11H2,1-2H3	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.42E+4	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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2D21W6V
					More data for this Ligand-Target Pair
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM87280 (3-(2-Methyl-3-propyl-quinolin-4-ylsulfanyl)-propio...) Show SMILES CCCc1c(C)nc2ccccc2c1SCCC#N Show InChI InChI=1S/C16H18N2S/c1-3-7-13-12(2)18-15-9-5-4-8-14(15)16(13)19-11-6-10-17/h4-5,8-9H,3,6-7,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.93E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HT2MXV
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM87280 (3-(2-Methyl-3-propyl-quinolin-4-ylsulfanyl)-propio...) Show SMILES CCCc1c(C)nc2ccccc2c1SCCC#N Show InChI InChI=1S/C16H18N2S/c1-3-7-13-12(2)18-15-9-5-4-8-14(15)16(13)19-11-6-10-17/h4-5,8-9H,3,6-7,11H2,1-2H3	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	9.45E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q28914F2
					More data for this Ligand-Target Pair