BindingDB PrimarySearch

BDBM10609 (+)-Physostigmine::(3aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate::CHEMBL76640::Physostigmine Carbamate 15b

SMILES: CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1

InChI Key: InChIKey=PIJVFDBKTWXHHD-AWKYBWMHSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 10609
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM10609 ((+)-Physostigmine \| (3aR)-1,3a,8-trimethyl-1H,2H,3...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.89E+3	n/a	n/a	n/a	n/a	8.0	37
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6
National Institutes of Health					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10609 ((+)-Physostigmine \| (3aR)-1,3a,8-trimethyl-1H,2H,3...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6
National Institutes of Health					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10609 ((+)-Physostigmine \| (3aR)-1,3a,8-trimethyl-1H,2H,3...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase from erythrocytes (RBC)				J Med Chem 40: 2895-901 (1997) Article DOI: 10.1021/jm970210v BindingDB Entry DOI: 10.7270/Q20V8BW2
National Institute on Aging Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10609 ((+)-Physostigmine \| (3aR)-1,3a,8-trimethyl-1H,2H,3...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 41: 2371-9 (1998) Article DOI: 10.1021/jm9800494 BindingDB Entry DOI: 10.7270/Q2W0944J
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10609 ((+)-Physostigmine \| (3aR)-1,3a,8-trimethyl-1H,2H,3...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Inhibition of human Butyrylcholinesterase				J Med Chem 40: 2895-901 (1997) Article DOI: 10.1021/jm970210v BindingDB Entry DOI: 10.7270/Q20V8BW2
National Institute on Aging Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10609 ((+)-Physostigmine \| (3aR)-1,3a,8-trimethyl-1H,2H,3...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.89E+3	n/a	n/a	n/a	n/a	8.0	37
University of North Carolina at Chapel Hill					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 41: 2371-9 (1998) Article DOI: 10.1021/jm9800494 BindingDB Entry DOI: 10.7270/Q2W0944J
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair