BDBM50396011 CHEMBL327134

SMILES: CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1\C(=C/OC)C(=O)OC

InChI Key: InChIKey=NMLUOJBSAYAYEM-AZQGJTAVSA-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 = 50396011   

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))	BDBM50396011 (CHEMBL327134) Show SMILES CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1\C(=C/OC)C(=O)OC Show InChI InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.97E+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))	BDBM50396011 (CHEMBL327134) Show SMILES CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1\C(=C/OC)C(=O)OC Show InChI InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+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