BDBM50237390 CHEMBL4099635

SMILES: S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1

InChI Key: InChIKey=DIPZWMXJRGSEOV-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50237390   

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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50237390 (CHEMBL4099635) Show SMILES S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1 Show InChI InChI=1S/C12H20N2O2S4/c17-11(13-3-1-7-15-9-5-13)19-20-12(18)14-4-2-8-16-10-6-14/h1-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50237390 (CHEMBL4099635) Show SMILES S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1 Show InChI InChI=1S/C12H20N2O2S4/c17-11(13-3-1-7-15-9-5-13)19-20-12(18)14-4-2-8-16-10-6-14/h1-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PDK2 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50237390 (CHEMBL4099635) Show SMILES S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1 Show InChI InChI=1S/C12H20N2O2S4/c17-11(13-3-1-7-15-9-5-13)19-20-12(18)14-4-2-8-16-10-6-14/h1-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PDK3 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50237390 (CHEMBL4099635) Show SMILES S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1 Show InChI InChI=1S/C12H20N2O2S4/c17-11(13-3-1-7-15-9-5-13)19-20-12(18)14-4-2-8-16-10-6-14/h1-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...				J Med Chem 60: 2227-2244 (2017) Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M
					More data for this Ligand-Target Pair