BindingDB

null

SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1

InChI Key InChIKey=HPJKCIUCZWXJDR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13061

Aromatase(Homo sapiens (Human))
CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA)

Curated by ChEMBL

BDBM13061(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)copy SMILEScopy InChI

IC50: 10nMAssay Description:Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluoresc...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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KEGG PC cid PC sid Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2542S0TPubMed DrugBank

Targets 7 ▿
- Aromatase 43
- Bile salt export pump 2
- Estrogen receptor 1
- Cytochrome P450 11B1, mitochondrial 1
- Aromatase [1-48] 1
- Cytochrome P450 11B2, mitochondrial 1
- Carbonic anhydrase 2 1
Publications 35 ▿
- J Med Chem 56: 460-70 (2013) 3
- J Med Chem 52: 143-50 (2009) 2
- Bioorg Med Chem 20: 2427-34 (2012) 2
- Bioorg Med Chem 24: 4723-4730 (2016) 2
- J Med Chem 56: 7536-51 (2013) 1
- Eur J Med Chem 46: 2541-5 (2011) 1
- ACS Med Chem Lett 11: 732-739 (2020) 1
- J Med Chem 54: 4006-17 (2011) 1
- Chem Biol Drug Des 88: 832-843 (2016) 1
- J Med Chem 53: 2155-70 (2010) 1
- J Med Chem 58: 7634-58 (2015) 1
- Bioorg Med Chem 24: 5400-5409 (2016) 1
- Bioorg Med Chem Lett 20: 3050-64 (2010) 1
- Eur J Med Chem 134: 304-315 (2017) 1
- Eur J Med Chem 143: 1604-1615 (2018) 1
- Toxicol Sci 136: 216-41 (2013) 1
- Bioorg Med Chem Lett 27: 5393-5399 (2017) 1
- J Med Chem 55: 8464-76 (2012) 1
- Eur J Med Chem 124: 946-958 (2016) 1
- Bioorg Med Chem 27: (2019) 1
- Bioorg Med Chem Lett 22: 1860-3 (2012) 1
- Bioorg Med Chem Lett 23: 1760-2 (2013) 1
- Bioorg Med Chem 22: 126-34 (2013) 1
- J Med Chem 58: 2623-48 (2015) 1
- Bioorg Chem 32: 494-503 (2004) 1
- Eur J Med Chem 168: 253-262 (2019) 1
- Eur J Med Chem 185: (2020) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- Eur J Med Chem 143: 426-437 (2018) 1
- Bioorg Med Chem Lett 26: 3192-4 (2016) 1
- Bioorg Med Chem Lett 18: 4713-5 (2008) 1
- Biochemistry 44: 6858-66 (2005) 1
- Eur J Med Chem 46: 4010-24 (2011) 1
- Bioorg Med Chem 23: 3472-80 (2015) 1
- J Med Chem 51: 4226-38 (2008) 1
Institutions 27 ▿
- [Purdue University, University of Bath] 4
- [Purdue University, University of Bath] 4
- [Srinakharinwirot University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) ] 3
- [Srinakharinwirot University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) ] 3
- [Universidade de Coimbra, Key Laboratory of Industrial Fermentation Microbiology (Tianjin University of Science & Technology), King Saud University] 2
- [Universidade de Coimbra, Key Laboratory of Industrial Fermentation Microbiology (Tianjin University of Science & Technology), King Saud University] 2
- [Universidade de Coimbra, Key Laboratory of Industrial Fermentation Microbiology (Tianjin University of Science & Technology), King Saud University] 2
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
- [UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales, Johns Hopkins University, State University of New York Upstate Medical University, Alma Mater Studiorum-University of Bologna, University of Hawai'i at Hilo, Novartis Institutes for BioMedical Research, Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), CNR-IOM-Democritos c/o International School for Advanced Studies (SISSA), University of Padova, Biomolécules et Cibles Cellulaires Tumorales, Universit£ de Moncton, University of Chieti 'G. d'Annunzio', Northern Kentucky University, Yueyang Vocational Technical College, "G. d'Annunzio" University, Universita` di Modena e Reggio Emilia, AstraZeneca, Amgen Inc, Yunnan University, Université de Nantes] 1
Affinity: 0.020 to 2.3E+5 nM▿
- Ki 2
- IC50 48
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1