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BDBM24317 4-[(R)-(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile::Letrozole derivative, 39a R-(+)

InChI string: InChI=1S/C16H11BrN4O/c17-14-7-13(5-6-15(14)22)16(21-10-19-9-20-21)12-3-1-11(8-18)2-4-12/h1-7,9-10,16,22H/t16-/m1/s1

SMILES: Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1

InChI Key: InChIKey=FCWRPKMHVLOWPB-MRXNPFEDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24317   
Target
(Institution)
LigandTarget
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
Aromatase (CYP19)


(Homo sapiens (human))
BDBM24317
PNG
(4-[(R)-(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-...)
Show SMILES Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C16H11BrN4O/c17-14-7-13(5-6-15(14)22)16(21-10-19-9-20-21)12-3-1-11(8-18)2-4-12/h1-7,9-10,16,22H/t16-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 0.600n/an/an/an/a7.537



University of Bath



Assay Description
The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...


J Med Chem 51: 4226-38 (2008)

More data for this
Ligand-Target Pair