BDBM10986 (3aS,8aR)-1,3a,6,8-tetramethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate::(3aS,8aR)-1,3a,6,8-tetramethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate::6-methylphysostigmine::Physostigmine analog 31

SMILES: [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)c(C)cc1N2C

InChI Key: InChIKey=LWKZVVXKVJQNHR-ZBFHGGJFSA-N

Data: 2 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 2 hits for monomerid = 10986   

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
Cholinesterase (Homo sapiens (Human))	BDBM10986 ((3aS,8aR)-1,3a,6,8-tetramethyl-1,2,3,3a,8,8a-hexah...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)c(C)cc1N2C |r| Show InChI InChI=1S/C16H23N3O2/c1-10-8-12-11(9-13(10)21-15(20)17-3)16(2)6-7-18(4)14(16)19(12)5/h8-9,14H,6-7H2,1-5H3,(H,17,20)/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.53E+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 44: 4062-71 (2001) Article DOI: 10.1021/jm010080x BindingDB Entry DOI: 10.7270/Q2XS5SNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10986 ((3aS,8aR)-1,3a,6,8-tetramethyl-1,2,3,3a,8,8a-hexah...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)c(C)cc1N2C |r| Show InChI InChI=1S/C16H23N3O2/c1-10-8-12-11(9-13(10)21-15(20)17-3)16(2)6-7-18(4)14(16)19(12)5/h8-9,14H,6-7H2,1-5H3,(H,17,20)/t14-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 44: 4062-71 (2001) Article DOI: 10.1021/jm010080x BindingDB Entry DOI: 10.7270/Q2XS5SNV
					More data for this Ligand-Target Pair