BDBM50509713 CHEMBL4556651

SMILES: C=CCNC(=S)NNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=ZNKBYJMHBTUJRQ-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50509713   

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))	BDBM50509713 (CHEMBL4556651) Show SMILES C=CCNC(=S)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C17H20N4S/c1-2-11-18-17(22)21-20-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h2-3,5,7,9H,1,4,6,8,10-11H2,(H,19,20)(H2,18,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50509713 (CHEMBL4556651) Show SMILES C=CCNC(=S)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C17H20N4S/c1-2-11-18-17(22)21-20-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h2-3,5,7,9H,1,4,6,8,10-11H2,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	722	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509713 (CHEMBL4556651) Show SMILES C=CCNC(=S)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C17H20N4S/c1-2-11-18-17(22)21-20-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h2-3,5,7,9H,1,4,6,8,10-11H2,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair