BDBM50217003 CHEMBL70688

SMILES: [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(N)=O)C(C)C

InChI Key: InChIKey=FGTMWAPPJHUUNZ-ONCXSQPRSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217003   

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))	BDBM50217003 (CHEMBL70688) Show SMILES [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(N)=O)C(C)C |c:4,7| Show InChI InChI=1S/C20H31NO/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H2,21,22)/t16-,17+,19+,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.70E+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