BDBM50234769 CHEMBL4095908

SMILES: COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12

InChI Key: InChIKey=VQICOKOVXNVBBA-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50234769   

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))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate pretreat...				Eur J Med Chem 126: 576-589 (2017) BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair