BindingDB logo
myBDB logout

BDBM50360383 CHEMBL1933700

SMILES: O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=AOUFLDFQEMUYCL-DLBZAZTESA-N

Data: 2 KI

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 2 hits for monomerid = 50360383   
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 19A1


(Homo sapiens (Human))
BDBM50360383
PNG
(CHEMBL1933700)
Show SMILES O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H17N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16-17,21H,13H2/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome...


Bioorg Med Chem Lett 22: 718-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.039
BindingDB Entry DOI: 10.7270/Q2PV6KS2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50360383
PNG
(CHEMBL1933700)
Show SMILES O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H17N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16-17,21H,13H2/t16-,17+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.08E+5n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 22: 718-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.039
BindingDB Entry DOI: 10.7270/Q2PV6KS2
More data for this
Ligand-Target Pair