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BDBM50317203 9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline::CHEMBL1098471

SMILES: C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12

InChI Key: InChIKey=JJAATQLWMKLMJU-UHFFFAOYSA-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 = 50317203   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 753n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 289n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair