BDBM50177026 CHEMBL3814630

SMILES: FC(F)(F)c1cc(NC(=O)C(Cl)Cl)ccc1Cl

InChI Key: InChIKey=GOSGWKQSZFHDKD-UHFFFAOYSA-N

Data: 4 Kd

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 = 50177026   

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))	BDBM50177026 (CHEMBL3814630) Show SMILES FC(F)(F)c1cc(NC(=O)C(Cl)Cl)ccc1Cl Show InChI InChI=1S/C9H5Cl3F3NO/c10-6-2-1-4(16-8(17)7(11)12)3-5(6)9(13,14)15/h1-3,7H,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a
University of Macau Curated by ChEMBL					Assay Description Competitive binding affinity to recombinant N-terminal 6xHis-SUMO-tagged human PDK1 (29 to 436 residues) expressed in Escherichia coli BL-21 assessed...				J Med Chem 59: 3562-8 (2016) BindingDB Entry DOI: 10.7270/Q2P55QFZ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50177026 (CHEMBL3814630) Show SMILES FC(F)(F)c1cc(NC(=O)C(Cl)Cl)ccc1Cl Show InChI InChI=1S/C9H5Cl3F3NO/c10-6-2-1-4(16-8(17)7(11)12)3-5(6)9(13,14)15/h1-3,7H,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.08E+4	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50177026 (CHEMBL3814630) Show SMILES FC(F)(F)c1cc(NC(=O)C(Cl)Cl)ccc1Cl Show InChI InChI=1S/C9H5Cl3F3NO/c10-6-2-1-4(16-8(17)7(11)12)3-5(6)9(13,14)15/h1-3,7H,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a	n/a
University of Macau Curated by ChEMBL					Assay Description Competitive binding affinity to recombinant N-terminal 6xHis-SUMO-tagged human PDK1 (29 to 436 residues) expressed in Escherichia coli BL-21 assessed...				J Med Chem 59: 3562-8 (2016) BindingDB Entry DOI: 10.7270/Q2P55QFZ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50177026 (CHEMBL3814630) Show SMILES FC(F)(F)c1cc(NC(=O)C(Cl)Cl)ccc1Cl Show InChI InChI=1S/C9H5Cl3F3NO/c10-6-2-1-4(16-8(17)7(11)12)3-5(6)9(13,14)15/h1-3,7H,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.08E+4	n/a	n/a	n/a	n/a	n/a
University of Macau Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal 6xHis-SUMO-tagged human PDK1 (29 to 436 residues) expressed in Escherichia coli BL-21 by isothermal titrat...				J Med Chem 59: 3562-8 (2016) BindingDB Entry DOI: 10.7270/Q2P55QFZ
					More data for this Ligand-Target Pair