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Target
Aromatase
Ligand
BDBM10009
Substrate
n/a
Meas. Tech.
ChEMBL_475715 (CHEMBL934601)
IC50
100±n/a nM
Citation
 Crisman, TJ; Bender, A; Milik, M; Jenkins, JL; Scheiber, J; Sukuru, SC; Fejzo, J; Hommel, U; Davies, JW; Glick, M "Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits. J Med Chem 51:2481-91 (2008) [PubMed]  Article 
Target
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:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM10009
Synonyms:
1-[(6-Methoxybenzofuran-2-yl)-p-tolylmethyl]-1H-1,2,4-triazole | 1-[(6-methoxy-1-benzofuran-2-yl)(4-methylphenyl)methyl]-1H-1,2,4-triazole | Benzofuran Triazole Derivative 7f
Type:
Small organic molecule
Emp. Form.:
C19H17N3O2
Mol. Mass.:
319.3572
SMILES:
COc1ccc2cc(oc2c1)C(c1ccc(C)cc1)n1cncn1
Structure:
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