Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAromatase
LigandBDBM50070095
Substrate/Competitorn/a
Meas. Tech.ChEMBL_36052 (CHEMBL645584)
IC50 800±n/a nM
Citation Sonnet, PGuillon, JEnguehard, CDallemagne, PBureau, RRault S Auvray, PMoslemi, SSourdiane, PGalopin, SSéralini, GE Design and synthesis of a new type of non steroidal human aromatase inhibitors. Bioorg Med Chem Lett8:1041-4 (1999) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Aromatase
Name:Aromatase
Synonyms:ARO1 | Aromatase | CP19A_HUMAN | CYAR | CYP19 | CYP19A1 | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM
Type:Enzyme
Mol. Mass.:57888.92
Organism:Homo sapiens (Human)
Description:P11511
Residue:503
Sequence:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50070095
n/a
NameBDBM50070095
Synonyms:3-Phenyl-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-indan-1-one | CHEMBL9179 | MR-20496
TypeSmall organic molecule
Emp. Form.C21H15NO
Mol. Mass.297.3499
SMILESO=C1\C(=C/c2ccncc2)C(c2ccccc12)c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: