BDBM50277655 CHEMBL4166300

SMILES: COc1cc2C\C(=C/C3CCN(Cc4cc(N)c5ccccc5n4)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=LCWJAHTZACCSBC-YBFXNURJSA-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 = 50277655   

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 (Homo sapiens (Human))	BDBM50277655 (CHEMBL4166300) Show SMILES COc1cc2C\C(=C/C3CCN(Cc4cc(N)c5ccccc5n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H29N3O3/c1-32-25-13-18-12-19(27(31)22(18)15-26(25)33-2)11-17-7-9-30(10-8-17)16-20-14-23(28)21-5-3-4-6-24(21)29-20/h3-6,11,13-15,17H,7-10,12,16H2,1-2H3,(H2,28,29)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by U...				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50277655 (CHEMBL4166300) Show SMILES COc1cc2C\C(=C/C3CCN(Cc4cc(N)c5ccccc5n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H29N3O3/c1-32-25-13-18-12-19(27(31)22(18)15-26(25)33-2)11-17-7-9-30(10-8-17)16-20-14-23(28)21-5-3-4-6-24(21)29-20/h3-6,11,13-15,17H,7-10,12,16H2,1-2H3,(H2,28,29)/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair