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BDBM50200329 CHEMBL214467::N-{3-amino-7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2,4,6,8,10,14-hexaen-17-yl}acetamide

SMILES: CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2

InChI Key: InChIKey=SRBWAIWJMGLCDO-UHFFFAOYNA-N

Data: 6 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 6 hits for monomerid = 50200329   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50200329
PNG
(CHEMBL214467 | N-{3-amino-7-chloro-15-methyl-10-az...)
Show SMILES CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2
Show InChI InChI=1/C19H20ClN3O/c1-9-5-11-7-16-17(14(6-9)19(11)22-10(2)24)18(21)13-4-3-12(20)8-15(13)23-16/h3-5,8,11,14,19H,6-7H2,1-2H3,(H2,21,23)(H,22,24)
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PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE after 45 mins


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
Cholinesterases


(Homo sapiens (Human))
BDBM50200329
PNG
(CHEMBL214467 | N-{3-amino-7-chloro-15-methyl-10-az...)
Show SMILES CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2
Show InChI InChI=1/C19H20ClN3O/c1-9-5-11-7-16-17(14(6-9)19(11)22-10(2)24)18(21)13-4-3-12(20)8-15(13)23-16/h3-5,8,11,14,19H,6-7H2,1-2H3,(H2,21,23)(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE


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
Cholinesterases


(Homo sapiens (Human))
BDBM50200329
PNG
(CHEMBL214467 | N-{3-amino-7-chloro-15-methyl-10-az...)
Show SMILES CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2
Show InChI InChI=1/C19H20ClN3O/c1-9-5-11-7-16-17(14(6-9)19(11)22-10(2)24)18(21)13-4-3-12(20)8-15(13)23-16/h3-5,8,11,14,19H,6-7H2,1-2H3,(H2,21,23)(H,22,24)
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n/an/a 8.49E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE


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))
BDBM50200329
PNG
(CHEMBL214467 | N-{3-amino-7-chloro-15-methyl-10-az...)
Show SMILES CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2
Show InChI InChI=1/C19H20ClN3O/c1-9-5-11-7-16-17(14(6-9)19(11)22-10(2)24)18(21)13-4-3-12(20)8-15(13)23-16/h3-5,8,11,14,19H,6-7H2,1-2H3,(H2,21,23)(H,22,24)
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PubMed
n/an/a 1.69E+3n/an/an/an/an/an/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))
BDBM50200329
PNG
(CHEMBL214467 | N-{3-amino-7-chloro-15-methyl-10-az...)
Show SMILES CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2
Show InChI InChI=1/C19H20ClN3O/c1-9-5-11-7-16-17(14(6-9)19(11)22-10(2)24)18(21)13-4-3-12(20)8-15(13)23-16/h3-5,8,11,14,19H,6-7H2,1-2H3,(H2,21,23)(H,22,24)
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Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE after 45 mins


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))
BDBM50200329
PNG
(CHEMBL214467 | N-{3-amino-7-chloro-15-methyl-10-az...)
Show SMILES CC(=O)NC1C2Cc3nc4cc(Cl)ccc4c(N)c3C1CC(C)=C2
Show InChI InChI=1/C19H20ClN3O/c1-9-5-11-7-16-17(14(6-9)19(11)22-10(2)24)18(21)13-4-3-12(20)8-15(13)23-16/h3-5,8,11,14,19H,6-7H2,1-2H3,(H2,21,23)(H,22,24)
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Article
PubMed
n/an/a 3.59E+3n/an/an/an/an/an/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