BindingDB

null

SMILES N#Cc1ccc(cc1)C1CCCc2cncn12

InChI Key InChIKey=CLPFFLWZZBQMAO-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 8611

Cytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL

BDBM8611(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)copy SMILEScopy InChI

IC50: 0.800nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysisMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2X068N3PubMed PDB

3D Structure (crystal)

Cytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL

BDBM8611(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)copy SMILEScopy InChI

IC50: 6.30nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysisMore data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2X068N3PubMed PDB

3D Structure (crystal)

Targets 4 ▿
- Aromatase 39
- Cytochrome P450 11B1, mitochondrial 24
- Cytochrome P450 11B2, mitochondrial 24
- Steroid 17-alpha-hydroxylase/17,20 lyase 3
Publications 35 ▿
- US Patent US9271963 (2016) 14
- J Med Chem 34: 725-36 (1991) 7
- J Med Chem 48: 1796-805 (2005) 4
- J Med Chem 48: 1563-75 (2005) 4
- J Med Chem 56: 1723-9 (2013) 4
- Pharmacol Rev 49: 2222-31 (2006) 3
- J Med Chem 51: 5064-74 (2008) 3
- J Med Chem 54: 2307-19 (2011) 3
- J Med Chem 51: 8077-87 (2008) 3
- J Med Chem 56: 460-70 (2013) 3
- J Med Chem 55: 7080-9 (2012) 3
- Eur J Med Chem 90: 788-96 (2015) 3
- J Med Chem 54: 1613-25 (2011) 3
- J Med Chem 51: 6138-49 (2008) 3
- J Med Chem 58: 2530-7 (2015) 2
- Eur J Med Chem 89: 597-605 (2014) 2
- J Med Chem 57: 5179-89 (2014) 2
- J Med Chem 58: 8054-65 (2015) 2
- J Med Chem 56: 6101-7 (2013) 2
- Bioorg Med Chem Lett 8: 1041-4 (1999) 2
- J Med Chem 38: 2103-11 (1995) 2
- Bioorg Med Chem 20: 2427-34 (2012) 2
- J Med Chem 33: 2933-42 (1990) 1
- J Med Chem 49: 4777-80 (2006) 1
- J Med Chem 53: 5347-51 (2010) 1
- J Med Chem 55: 6629-33 (2012) 1
- J Med Chem 50: 3420-2 (2007) 1
- Bioorg Med Chem Lett 20: 3050-64 (2010) 1
- J Med Chem 59: 5131-48 (2016) 1
- Bioorg Med Chem Lett 18: 4713-5 (2008) 1
- J Med Chem 44: 672-80 (2001) 1
- Bioorg Med Chem Lett 21: 186-90 (2010) 1
- J Med Chem 57: 5011-22 (2014) 1
- Bioorg Med Chem 16: 8349-58 (2008) 1
- J Med Chem 48: 6632-42 (2005) 1
Institutions 20 ▿
- [Saarland University] 29
- [UNIVERSITAT DES SAARLANDES] 14
- [CIBA-GEIGY Corporation, University of Bologna] 7
- [CIBA-GEIGY Corporation, University of Bologna] 7
- [Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)] 5
- [Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)] 4
- [Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) , Universita` degli Studi di Bari Aldo Moro] 3
- [Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) , Universita` degli Studi di Bari Aldo Moro] 3
- [Roche Pharma Research and Early Development (pRED), Universität des Saarlandes, Purdue University, Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) , Centre d'Etudes et de Recherche sur le Médicament de Normandie] 2
- [Roche Pharma Research and Early Development (pRED), Universität des Saarlandes, Purdue University, Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) , Centre d'Etudes et de Recherche sur le Médicament de Normandie] 2
- [Roche Pharma Research and Early Development (pRED), Universität des Saarlandes, Purdue University, Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) , Centre d'Etudes et de Recherche sur le Médicament de Normandie] 2
- [Roche Pharma Research and Early Development (pRED), Universität des Saarlandes, Purdue University, Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) , Centre d'Etudes et de Recherche sur le Médicament de Normandie] 2
- [Roche Pharma Research and Early Development (pRED), Universität des Saarlandes, Purdue University, Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) , Centre d'Etudes et de Recherche sur le Médicament de Normandie] 2
- [TBA, Johns Hopkins University, State University of New York Upstate Medical University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland, Università di Salerno, Johns Hopkins University School of Medicine, Université de Nantes] 1
- [TBA, Johns Hopkins University, State University of New York Upstate Medical University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland, Università di Salerno, Johns Hopkins University School of Medicine, Université de Nantes] 1
- [TBA, Johns Hopkins University, State University of New York Upstate Medical University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland, Università di Salerno, Johns Hopkins University School of Medicine, Université de Nantes] 1
- [TBA, Johns Hopkins University, State University of New York Upstate Medical University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland, Università di Salerno, Johns Hopkins University School of Medicine, Université de Nantes] 1
- [TBA, Johns Hopkins University, State University of New York Upstate Medical University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland, Università di Salerno, Johns Hopkins University School of Medicine, Université de Nantes] 1
- [TBA, Johns Hopkins University, State University of New York Upstate Medical University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland, Università di Salerno, Johns Hopkins University School of Medicine, Université de Nantes] 1
- [TBA, Johns Hopkins University, State University of New York Upstate Medical University, Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland, Università di Salerno, Johns Hopkins University School of Medicine, Université de Nantes] 1
Affinity: 0.0040 to 1.0E+5 nM▿
- Ki 5
- IC50 83
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1