BDBM91714 Testolactone, 3

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2

InChI Key: InChIKey=CNIXJDVUMXTEKX-DZBHQSCQSA-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 = 91714   

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
Cholinesterases (Homo sapiens (Human))	BDBM91714 (Testolactone, 3) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2 |t:8| Show InChI InChI=1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan					Assay Description AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.				J Enzyme Inhib Med Chem 24: 553-8 (2009) Article DOI: 10.1080/14756360802236393 BindingDB Entry DOI: 10.7270/Q20K274X
					More data for this Ligand-Target Pair