BDBM50312805 (3aS,8aR)-3a,8-dimethyl-1-(4-phenylbutyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 4-isopropylphenylcarbamate::CHEMBL1086635

SMILES: CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCCc5ccccc5)CC[C@@]4(C)c3c2)cc1

InChI Key: InChIKey=ARTUQDFHPDTROR-CDZUIXILSA-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 = 50312805   

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
Acetylcholinesterase (Mus musculus (mouse))	BDBM50312805 ((3aS,8aR)-3a,8-dimethyl-1-(4-phenylbutyl)-1,2,3,3a...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C32H39N3O2/c1-23(2)25-13-15-26(16-14-25)33-31(36)37-27-17-18-29-28(22-27)32(3)19-21-35(30(32)34(29)4)20-9-8-12-24-10-6-5-7-11-24/h5-7,10-11,13-18,22-23,30H,8-9,12,19-21H2,1-4H3,(H,33,36)/t30-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method				Bioorg Med Chem Lett 20: 1718-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.057 BindingDB Entry DOI: 10.7270/Q2RV0NV4
					More data for this Ligand-Target Pair
Butyrylcholinesterase (Mus musculus (Mouse))	BDBM50312805 ((3aS,8aR)-3a,8-dimethyl-1-(4-phenylbutyl)-1,2,3,3a...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C32H39N3O2/c1-23(2)25-13-15-26(16-14-25)33-31(36)37-27-17-18-29-28(22-27)32(3)19-21-35(30(32)34(29)4)20-9-8-12-24-10-6-5-7-11-24/h5-7,10-11,13-18,22-23,30H,8-9,12,19-21H2,1-4H3,(H,33,36)/t30-,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method				Bioorg Med Chem Lett 20: 1718-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.057 BindingDB Entry DOI: 10.7270/Q2RV0NV4
					More data for this Ligand-Target Pair