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BDBM50013786 1-Methyl-9H-beta-carboline::1-Methyl-9H-beta-carboline (Harman)::1-Methyl-beta-carboline::1-methyl-9H-pyrido[3,4-b]indole::CHEMBL12014::HARMAN::Harmane::cid_5281404

SMILES: Cc1nccc2c3ccccc3[nH]c12

InChI Key: InChIKey=PSFDQSOCUJVVGF-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 EC50

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 4 hits for monomerid = 50013786   
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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50013786
PNG
(1-Methyl-9H-beta-carboline | 1-Methyl-9H-beta-carb...)
Show SMILES Cc1nccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
8.60E+4n/an/an/an/an/an/an/an/a



Institut f£r Toxikologie

Curated by ChEMBL


Assay Description
Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)


J Med Chem 36: 1136-45 (1993)


BindingDB Entry DOI: 10.7270/Q2GM87X6
More data for this
Ligand-Target Pair
Chitinase


(Onchocerca volvulus)
BDBM50013786
PNG
(1-Methyl-9H-beta-carboline | 1-Methyl-9H-beta-carb...)
Show SMILES Cc1nccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
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Article
PubMed
n/an/a 7.33E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as releas...


ACS Med Chem Lett 6: 339-43 (2015)


Article DOI: 10.1021/ml500516r
BindingDB Entry DOI: 10.7270/Q2C53PTX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50013786
PNG
(1-Methyl-9H-beta-carboline | 1-Methyl-9H-beta-carb...)
Show SMILES Cc1nccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
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Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Naresuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate measured every 5 sec for 2 mins by Ellman's method


Bioorg Med Chem Lett 22: 2885-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.057
BindingDB Entry DOI: 10.7270/Q2251K5M
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM50013786
PNG
(1-Methyl-9H-beta-carboline | 1-Methyl-9H-beta-carb...)
Show SMILES Cc1nccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
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PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair