BDBM10965 (1R,3aS,8aS)-1-hydroxy-1,3a,8-trimethyl-5-[(phenylcarbamoyl)oxy]-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium chloride::phenylgeneserine N-oxide::phenylgeneserine.HCl

SMILES: [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N@@+]2(C)O

InChI Key: InChIKey=CJVCVNDKLPBCBG-GREBRCKQSA-O

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 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 = 10965   

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
Cholinesterases (Homo sapiens (Human))	BDBM10965 ((1R,3aS,8aS)-1-hydroxy-1,3a,8-trimethyl-5-[(phenyl...) Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N@@+]2(C)O |r| Show InChI InChI=1S/C20H23N3O3/c1-20-11-12-23(3,25)18(20)22(2)17-10-9-15(13-16(17)20)26-19(24)21-14-7-5-4-6-8-14/h4-10,13,18,25H,11-12H2,1-3H3/p+1/t18-,20-,23+/m0/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	>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 45: 3684-91 (2002) Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10965 ((1R,3aS,8aS)-1-hydroxy-1,3a,8-trimethyl-5-[(phenyl...) Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N@@+]2(C)O |r| Show InChI InChI=1S/C20H23N3O3/c1-20-11-12-23(3,25)18(20)22(2)17-10-9-15(13-16(17)20)26-19(24)21-14-7-5-4-6-8-14/h4-10,13,18,25H,11-12H2,1-3H3/p+1/t18-,20-,23+/m0/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	200	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 45: 3684-91 (2002) Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933
					More data for this Ligand-Target Pair