BindingDB logo
myBDB logout

BDBM50316421 (1R,3S)Methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-bcarboline-3-carboxylate::CHEMBL1095632

SMILES: COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c1ccccc1Br

InChI Key: InChIKey=QXOOUBWXLCUYFT-DLBZAZTESA-N

Data: 1 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 1 hit for monomerid = 50316421   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316421
PNG
((1R,3S)Methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro...)
Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c1ccccc1Br |r|
Show InChI InChI=1S/C19H17BrN2O2/c1-24-19(23)16-10-13-11-6-3-5-9-15(11)21-18(13)17(22-16)12-7-2-4-8-14(12)20/h2-9,16-17,21-22H,10H2,1H3/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay


Eur J Med Chem 45: 1278-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P
More data for this
Ligand-Target Pair