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BDBM50132101 1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol::CHEMBL129177::HARMALOL

SMILES: CC1=NCCc2c1[nH]c1cc(O)ccc21

InChI Key: InChIKey=RHVPEFQDYMMNSY-UHFFFAOYSA-N

Data: 1 KI  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 7 hits for monomerid = 50132101   
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
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132101
PNG
(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
KEGG

UniProtKB/SwissProt
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Thiosulfate sulfurtransferase


(Homo sapiens)
BDBM50132101
PNG
(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
PDB

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Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
60 kDa chaperonin


(Escherichia coli)
BDBM50132101
PNG
(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50132101
PNG
(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
PDB

UniProtKB/TrEMBL

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CHEMBL
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PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
HSP60/HSP10


(Homo sapiens)
BDBM50132101
PNG
(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50132101
PNG
(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.13E+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
10 kDa chaperonin


(Escherichia coli)
BDBM50132101
PNG
(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...


Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair