null

SMILES: CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO

InChI Key: InChIKey=SYDCSACHOOPYMT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50298403   

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
Cholinesterase (Homo sapiens (Human))	BDBM50298403 ((+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrah...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO |t:2,TLB:19:8:5:7.3.2,THB:1:2:5:10.9.8,11:9:5:7.3.2| Show InChI InChI=1S/C20H23ClN2O/c1-2-12-7-13-9-14(8-12)19-18(10-13)23-17-11-15(21)3-4-16(17)20(19)22-5-6-24/h3-4,7,11,13-14,24H,2,5-6,8-10H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298403 ((+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrah...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO |t:2,TLB:19:8:5:7.3.2,THB:1:2:5:10.9.8,11:9:5:7.3.2| Show InChI InChI=1S/C20H23ClN2O/c1-2-12-7-13-9-14(8-12)19-18(10-13)23-17-11-15(21)3-4-16(17)20(19)22-5-6-24/h3-4,7,11,13-14,24H,2,5-6,8-10H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.75	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair