BDBM50217000 CHEMBL303716

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

InChI Key: InChIKey=IQBPXKWSRSHYFC-UPZADPARSA-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 = 50217000   

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))	BDBM50217000 (CHEMBL303716) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:18| Show InChI InChI=1S/C18H27NO2/c1-18-9-8-14-13-5-3-12(19-21)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20-21H,2-9H2,1H3/b19-12+/t13-,14+,15+,16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.40E+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