BDBM50312802 (3aS,8aR)-1-benzyl-3a,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 4-isopropylphenylcarbamate::CHEMBL1087663

SMILES: CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(Cc5ccccc5)CC[C@@]4(C)c3c2)cc1

InChI Key: InChIKey=UDQQSHSNCLNDHJ-YTMVLYRLSA-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 = 50312802   

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))	BDBM50312802 ((3aS,8aR)-1-benzyl-3a,8-dimethyl-1,2,3,3a,8,8a-hex...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(Cc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H33N3O2/c1-20(2)22-10-12-23(13-11-22)30-28(33)34-24-14-15-26-25(18-24)29(3)16-17-32(27(29)31(26)4)19-21-8-6-5-7-9-21/h5-15,18,20,27H,16-17,19H2,1-4H3,(H,30,33)/t27-,29-/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
Cholinesterase (Mus musculus (Mouse))	BDBM50312802 ((3aS,8aR)-1-benzyl-3a,8-dimethyl-1,2,3,3a,8,8a-hex...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(Cc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H33N3O2/c1-20(2)22-10-12-23(13-11-22)30-28(33)34-24-14-15-26-25(18-24)29(3)16-17-32(27(29)31(26)4)19-21-8-6-5-7-9-21/h5-15,18,20,27H,16-17,19H2,1-4H3,(H,30,33)/t27-,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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