BDBM50014111 CHEMBL305670::Methyl-carbamic acid 3a,8-dimethyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester

SMILES: CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1

InChI Key: InChIKey=DWMBEPKCENULIA-OCCSQVGLSA-N

Data: 5 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 5 hits for monomerid = 50014111   

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 (Homo sapiens (Human))	BDBM50014111 (CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1 Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase in erythrocyte				J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50014111 (CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1 Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibitory activity against Butyrylcholinesterase in cortex				J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50014111 (CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1 Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibitory activity against Butyrylcholinesterase in cortex				J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50014111 (CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1 Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase in cortex				J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50014111 (CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1 Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase in electric eel				J Med Chem 33: 2311-9 (1990) BindingDB Entry DOI: 10.7270/Q24M93HF
					More data for this Ligand-Target Pair