BDBM50079861 (+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::(-)-(7S,11S)-huprine H2::(-)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::(rac)7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::7-fluoro-15-methyl-(1R,13S)-10-azoniatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine::7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::7-fluoro-15-methyl-10-azoniatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine::CHEMBL110077::rac-huprine H2

SMILES: CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N

InChI Key: InChIKey=CPGLYAIYMGVIIO-UHFFFAOYSA-N

Data: 18 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 18 hits for monomerid = 50079861   

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))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (BChE) in human serum				J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human serum butyrylcholinesterase using butyrylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes				J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (BChE) activity in human serum				J Med Chem 42: 3227-42 (1999) Article DOI: 10.1021/jm980620z BindingDB Entry DOI: 10.7270/Q2H70GH6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE)activity in bovine erythrocytes				J Med Chem 42: 3227-42 (1999) Article DOI: 10.1021/jm980620z BindingDB Entry DOI: 10.7270/Q2H70GH6
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (BChE) activity in human serum				J Med Chem 42: 3227-42 (1999) Article DOI: 10.1021/jm980620z BindingDB Entry DOI: 10.7270/Q2H70GH6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE)activity in bovine erythrocytes				J Med Chem 42: 3227-42 (1999) Article DOI: 10.1021/jm980620z BindingDB Entry DOI: 10.7270/Q2H70GH6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE)activity in bovine erythrocytes				J Med Chem 42: 3227-42 (1999) Article DOI: 10.1021/jm980620z BindingDB Entry DOI: 10.7270/Q2H70GH6
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (BChE) activity in human serum				J Med Chem 42: 3227-42 (1999) Article DOI: 10.1021/jm980620z BindingDB Entry DOI: 10.7270/Q2H70GH6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.49	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE				J Med Chem 49: 6833-40 (2006) Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.51	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE				J Med Chem 49: 6833-40 (2006) Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine acetylcholinesterase				J Med Chem 47: 4471-82 (2004) Article DOI: 10.1021/jm049877p BindingDB Entry DOI: 10.7270/Q26974WJ
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human serum butyrylcholinesterase using butyrylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human serum butyrylcholinesterase using butyrylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079861 ((+)-7-fluoro-15-methyl-10-azatetracyclo[11.3.1.02,...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:1,TLB:18:7:1.2.6:4,THB:0:1:7.8.9:4| Show InChI InChI=1S/C17H17FN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.58	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase isolated from Human erythrocytes.				J Med Chem 43: 4657-66 (2001) BindingDB Entry DOI: 10.7270/Q2Q52Q9B
					More data for this Ligand-Target Pair