BDBM34548 4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile::4-(3-pyridyl)-2-thioxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile::4-pyridin-3-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile::MLS000108243::SMR000104204::cid_869514

SMILES: S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N

InChI Key: InChIKey=VBAIBNJKSSGRCE-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 34548   

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
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.23E+4	n/a	n/a	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 (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	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 (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.91E+4	n/a	n/a	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 (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
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/Q2CZ35ND
					More data for this Ligand-Target Pair
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	25
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/Q2HQ3XD6
					More data for this Ligand-Target Pair
diphosphomevalonate decarboxylase (Streptococcus pneumoniae D39)	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.01E+4	n/a	n/a	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 (2007) BindingDB Entry DOI: 10.7270/Q2N014XN
					More data for this Ligand-Target Pair