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BDBM10628 (+)-(3aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo-[2,3-b]indol-5-yl N-(4-Isopropylphenyl)carbamate::(3aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-[4-(propan-2-yl)phenyl]carbamate::Physostigmine Carbamate 18b

SMILES: CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CC[C@]4(C)c3c2)cc1

InChI Key: InChIKey=NKJRRVBTMYRXRB-JFGZAKSSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10628   
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
Cholinesterase


(Homo sapiens (Human))
BDBM10628
PNG
((+)-(3aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CC[C@]4(C)c3c2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21?,23-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 5.10E+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