BindingDB logo
myBDB logout

BDBM50107889 (+/-)15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,15-hexaen-3-amine; hydrochloride::CHEMBL539072

SMILES: CC1=CC2CC(C1)Cc1nc3ccccc3c(N)c21

InChI Key: InChIKey=ATSTYEGQPOWINW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50107889   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterases


(Homo sapiens (Human))
BDBM50107889
PNG
((+/-)15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]...)
Show SMILES CC1=CC2CC(C1)Cc1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H18N2/c1-10-6-11-8-12(7-10)16-15(9-11)19-14-5-3-2-4-13(14)17(16)18/h2-5,7,11-12H,6,8-9H2,1H3,(H2,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against BChE of human serum


J Med Chem 44: 4733-6 (2001)


Article DOI: 10.1021/jm010949b
BindingDB Entry DOI: 10.7270/Q2SF2WWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50107889
PNG
((+/-)15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]...)
Show SMILES CC1=CC2CC(C1)Cc1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H18N2/c1-10-6-11-8-12(7-10)16-15(9-11)19-14-5-3-2-4-13(14)17(16)18/h2-5,7,11-12H,6,8-9H2,1H3,(H2,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 511n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against bovine acetylcholinesterase enzyme


J Med Chem 44: 4733-6 (2001)


Article DOI: 10.1021/jm010949b
BindingDB Entry DOI: 10.7270/Q2SF2WWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50107889
PNG
((+/-)15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]...)
Show SMILES CC1=CC2CC(C1)Cc1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H18N2/c1-10-6-11-8-12(7-10)16-15(9-11)19-14-5-3-2-4-13(14)17(16)18/h2-5,7,11-12H,6,8-9H2,1H3,(H2,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 436n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase of human erythrocytes


J Med Chem 44: 4733-6 (2001)


Article DOI: 10.1021/jm010949b
BindingDB Entry DOI: 10.7270/Q2SF2WWD
More data for this
Ligand-Target Pair