BDBM10974 (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 2-methylphenylcarbamate::(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-(3-methylphenyl)carbamate::Phenserine methyl analog 6

SMILES: [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C

InChI Key: InChIKey=PQDJUEVCRHUXJT-CTNGQTDRSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 10974   

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))	BDBM10974 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C |r| Show InChI InChI=1S/C21H25N3O2/c1-14-6-5-7-15(12-14)22-20(25)26-16-8-9-18-17(13-16)21(2)10-11-23(3)19(21)24(18)4/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21+/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	165	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))	BDBM10974 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C |r| Show InChI InChI=1S/C21H25N3O2/c1-14-6-5-7-15(12-14)22-20(25)26-16-8-9-18-17(13-16)21(2)10-11-23(3)19(21)24(18)4/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21+/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	28	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 44: 4062-71 (2001) Article DOI: 10.1021/jm010080x BindingDB Entry DOI: 10.7270/Q2XS5SNV
					More data for this Ligand-Target Pair