BDBM50396012 CHEMBL2163791

SMILES: O[C@H]1CCN2Cc3ccccc3N=C12

InChI Key: InChIKey=YIICVSCAKJMMDJ-JTQLQIEISA-N

Data: 2 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 2 hits for monomerid = 50396012   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50396012 (CHEMBL2163791) Show SMILES O[C@H]1CCN2Cc3ccccc3N=C12 |r,t:13| Show InChI InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of horse BChE by Ellman's method				Bioorg Med Chem 20: 6669-79 (2012) Article DOI: 10.1016/j.bmc.2012.09.040 BindingDB Entry DOI: 10.7270/Q2ZG6TBT
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50396012 (CHEMBL2163791) Show SMILES O[C@H]1CCN2Cc3ccccc3N=C12 |r,t:13| Show InChI InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of human BChE by Ellman's method				Bioorg Med Chem 20: 6669-79 (2012) Article DOI: 10.1016/j.bmc.2012.09.040 BindingDB Entry DOI: 10.7270/Q2ZG6TBT
					More data for this Ligand-Target Pair