null

SMILES: COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O

InChI Key: InChIKey=IOTRVAALHUOPTG-OUBBASQLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50401095   

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))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	53.9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49.7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	53.7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair