BDBM50436816 CHEMBL3038175

SMILES: CN1C\C(=C/c2ccc(C)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(C)cc1

InChI Key: InChIKey=RVVSWWHORXKGJZ-QATLYCBZSA-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 = 50436816   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50436816 (CHEMBL3038175) Show SMILES CN1C\C(=C/c2ccc(C)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(C)cc1 |r| Show InChI InChI=1S/C37H34N2O2S/c1-23-10-14-25(15-11-23)18-28-19-38(3)21-36(34(28)40)33(27-16-12-24(2)13-17-27)31-20-42-22-39(31)37(36)30-9-5-7-26-6-4-8-29(32(26)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b28-18+/t31-,33-,36-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 30 mins by Ellman's method				Eur J Med Chem 65: 240-8 (2013) Article DOI: 10.1016/j.ejmech.2013.04.050 BindingDB Entry DOI: 10.7270/Q23T9JNC
					More data for this Ligand-Target Pair