Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50241350'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Equus caballus (Horse))	BDBM50241350 (5-Amino-2-methyl-4-phenyl-6,7,8,9-tetrahydro-benzo...) Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccccc1 Show InChI InChI=1S/C22H23N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE by Ellman's method				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50241350 (5-Amino-2-methyl-4-phenyl-6,7,8,9-tetrahydro-benzo...) Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccccc1 Show InChI InChI=1S/C22H23N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,23,24,25)	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Universitario de la Princesa Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin)				Eur J Med Chem 166: 381-389 (2019) Article DOI: 10.1016/j.ejmech.2019.02.005 BindingDB Entry DOI: 10.7270/Q23N26XF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50241350 (5-Amino-2-methyl-4-phenyl-6,7,8,9-tetrahydro-benzo...) Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccccc1 Show InChI InChI=1S/C22H23N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,23,24,25)	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Universitario de la Princesa Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate by Ellman's methods				Eur J Med Chem 166: 381-389 (2019) Article DOI: 10.1016/j.ejmech.2019.02.005 BindingDB Entry DOI: 10.7270/Q23N26XF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50241350 (5-Amino-2-methyl-4-phenyl-6,7,8,9-tetrahydro-benzo...) Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccccc1 Show InChI InChI=1S/C22H23N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Equus caballus BuChE				Bioorg Med Chem Lett 20: 2950-3 (2010) Article DOI: 10.1016/j.bmcl.2010.03.010 BindingDB Entry DOI: 10.7270/Q2TH8MVX
					More data for this Ligand-Target Pair