BDBM80809 3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-yl)disulfanyl]pyrrol-2-yl]pyridine::3-[1-methyl-5-[(1-methyl-5-pyridin-3-ylpyrrol-2-yl)disulfanyl]pyrrol-2-yl]pyridine::3-[1-methyl-5-[[1-methyl-5-(3-pyridinyl)-2-pyrrolyl]disulfanyl]-2-pyrrolyl]pyridine::3-[1-methyl-5-[[1-methyl-5-(3-pyridyl)pyrrol-2-yl]disulfanyl]pyrrol-2-yl]pyridine::MLS002637680::SMR001547203::cid_220466

SMILES: Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1

InChI Key: InChIKey=VJDGONRHHHOESK-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 80809   

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
Hexokinase type I (Homo sapiens (Human))	BDBM80809 (3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-y...) Show SMILES Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1 Show InChI InChI=1S/C20H18N4S2/c1-23-17(15-5-3-11-21-13-15)7-9-19(23)25-26-20-10-8-18(24(20)2)16-6-4-12-22-14-16/h3-14H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.42E+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
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80809 (3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-y...) Show SMILES Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1 Show InChI InChI=1S/C20H18N4S2/c1-23-17(15-5-3-11-21-13-15)7-9-19(23)25-26-20-10-8-18(24(20)2)16-6-4-12-22-14-16/h3-14H,1-2H3	GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.48E+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/Q2R78CQV
					More data for this Ligand-Target Pair