BDBM50217005 CHEMBL307896

SMILES: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O

InChI Key: InChIKey=CACLDHHVRLSJEY-ONWYLSRGSA-N

Data: 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 1 hit for monomerid = 50217005   

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 kinase (Homo sapiens (Human))	BDBM50217005 (CHEMBL307896) Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:20| Show InChI InChI=1S/C20H27NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22-23H,4-11H2,2H3/b21-14+/t15-,16+,17+,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against pyruvate dehydrogenase kinase was determined				Bioorg Med Chem Lett 9: 2223-8 (1999) BindingDB Entry DOI: 10.7270/Q2RN3B1Q
					More data for this Ligand-Target Pair