BDBM50414944 CHEMBL121556::NSC-402538
SMILES: S=C(SSC(=S)N1CCOCC1)N1CCOCC1
InChI Key: InChIKey=KKVYOWPPMNSLCP-UHFFFAOYSA-N
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 |
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[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human)) | BDBM50414944 (CHEMBL121556 | NSC-402538) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | 1.80 | 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 1, mitochondrial (Homo sapiens (Human)) | BDBM50414944 (CHEMBL121556 | NSC-402538) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | 4.60 | 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 kinase 3 (PDK3) (Homo sapiens (Human)) | BDBM50414944 (CHEMBL121556 | NSC-402538) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | 29 | 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 | |||||||||||||
Fructose-1,6-bisphosphatase (Homo sapiens (Human)) | BDBM50414944 (CHEMBL121556 | NSC-402538) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty-acid amide hydrolase 1 (Homo sapiens (Human)) | BDBM50414944 (CHEMBL121556 | NSC-402538) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Catholique de Louvain Curated by ChEMBL | Assay Description Inhibition of human recombinant FAAH-maltose binding protein | J Med Chem 52: 7310-4 (2009) Article DOI: 10.1021/jm901323s BindingDB Entry DOI: 10.7270/Q2319X48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human)) | BDBM50414944 (CHEMBL121556 | NSC-402538) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 49 | 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 | |||||||||||||
Monoglyceride lipase (Homo sapiens (Human)) | BDBM50414944 (CHEMBL121556 | NSC-402538) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Catholique de Louvain Curated by ChEMBL | Assay Description Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting | J Med Chem 52: 7310-4 (2009) Article DOI: 10.1021/jm901323s BindingDB Entry DOI: 10.7270/Q2319X48 | |||||||||||
More data for this Ligand-Target Pair |