BDBM80819 1-(3-methylphenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea::1-(3-methylphenyl)-3-[1-(2-pyridinyl)ethylideneamino]thiourea::1-(m-tolyl)-3-[1-(2-pyridyl)ethylideneamino]thiourea::MLS002702209::SMR001565772::cid_3005040

SMILES: CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1

InChI Key: InChIKey=ANJKHGQGRYJRCY-UHFFFAOYSA-N

Data: 1 IC50  2 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 = 80819   

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
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80819 (1-(3-methylphenyl)-3-(1-pyridin-2-ylethylideneamin...) Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1 |w:2.2| Show InChI InChI=1S/C15H16N4S/c1-11-6-5-7-13(10-11)17-15(20)19-18-12(2)14-8-3-4-9-16-14/h3-10H,1-2H3,(H2,17,19,20)	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.27E+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 (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV
					More data for this Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655)	BDBM80819 (1-(3-methylphenyl)-3-(1-pyridin-2-ylethylideneamin...) Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1 |w:2.2| Show InChI InChI=1S/C15H16N4S/c1-11-6-5-7-13(10-11)17-15(20)19-18-12(2)14-8-3-4-9-16-14/h3-10H,1-2H3,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21G0JXG
					More data for this Ligand-Target Pair
Hexokinase type I (Homo sapiens (Human))	BDBM80819 (1-(3-methylphenyl)-3-(1-pyridin-2-ylethylideneamin...) Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1 |w:2.2| Show InChI InChI=1S/C15H16N4S/c1-11-6-5-7-13(10-11)17-15(20)19-18-12(2)14-8-3-4-9-16-14/h3-10H,1-2H3,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.00E+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/Q2765CSM
					More data for this Ligand-Target Pair