BindingDB logo
myBDB logout

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

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 6 hits for monomerid = 10609   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10609
PNG
((+)-Physostigmine | (3aR)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.89E+3n/an/an/an/a8.037



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
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10609
PNG
((+)-Physostigmine | (3aR)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.49E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10609
PNG
((+)-Physostigmine | (3aR)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.89E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10609
PNG
((+)-Physostigmine | (3aR)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.49E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10609
PNG
((+)-Physostigmine | (3aR)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.49E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10609
PNG
((+)-Physostigmine | (3aR)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.89E+3n/an/an/an/a8.037



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
More data for this
Ligand-Target Pair