BindingDB

null

SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1

InChI Key InChIKey=BPQMGSKTAYIVFO-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50249522

Smoothened homolog(Homo sapiens (Human))
Southern Medical University

Curated by ChEMBL

BDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)copy SMILEScopy InChI

Kd: 97.5nMAssay Description:Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisMore data for this Ligand-Target Pair

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Details Article
BindingDB Entry DOI: 10.7270/Q2N301HPPubMed DrugBank
PDB

3D Structure (crystal)

Targets 10 ▿
- Smoothened homolog 23
- Albumin 7
- Sonic hedgehog protein 5
- Cytochrome P450 1A2 1
- Cytochrome P450 2C9 1
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
- Cytochrome P450 2C19 1
- Cytochrome P450 2D6 1
- Potassium voltage-gated channel subfamily H member 2 1
- Cytochrome P450 3A4 1
Publications 17 ▿
- Bioorg Med Chem 28: (2020) 12
- J Med Chem 54: 2592-601 (2011) 9
- J Med Chem 55: 1559-71 (2012) 2
- Bioorg Med Chem Lett 24: 1426-31 (2014) 2
- Eur J Med Chem 172: 1-15 (2019) 2
- Bioorg Med Chem 20: 6751-7 (2012) 2
- J Med Chem 52: 3829-45 (2009) 1
- Bioorg Med Chem 28: (2020) 1
- ACS Med Chem Lett 3: 106-111 (2012) 1
- Bioorg Med Chem Lett 23: 6777-83 (2013) 1
- Eur J Med Chem 149: 110-121 (2018) 1
- Bioorg Med Chem Lett 19: 5576-81 (2009) 1
- Eur J Med Chem 155: 34-48 (2018) 1
- Bioorg Med Chem Lett 25: 3665-70 (2015) 1
- J Med Chem 59: 11050-11068 (2016) 1
- Bioorg Med Chem Lett 24: 2300-4 (2014) 1
- Bioorg Med Chem 28: (2020) 1
Institutions 13 ▿
- [AstraZeneca] 12
- [Genentech Inc.] 9
- [Soochow University] 6
- [Duke University Medical Center, Universit£ degli Studi di Siena, Sichuan University] 2
- [Duke University Medical Center, Universit£ degli Studi di Siena, Sichuan University] 2
- [Duke University Medical Center, Universit£ degli Studi di Siena, Sichuan University] 2
- [Jiangsu Simcere Pharmaceutical Co. Ltd, TBA, Genentech, St. Jude Children's Research Hospital, China Pharmaceutical University, Southern Medical University, University of Chinese Academy of Sciences] 1
- [Jiangsu Simcere Pharmaceutical Co. Ltd, TBA, Genentech, St. Jude Children's Research Hospital, China Pharmaceutical University, Southern Medical University, University of Chinese Academy of Sciences] 1
- [Jiangsu Simcere Pharmaceutical Co. Ltd, TBA, Genentech, St. Jude Children's Research Hospital, China Pharmaceutical University, Southern Medical University, University of Chinese Academy of Sciences] 1
- [Jiangsu Simcere Pharmaceutical Co. Ltd, TBA, Genentech, St. Jude Children's Research Hospital, China Pharmaceutical University, Southern Medical University, University of Chinese Academy of Sciences] 1
- [Jiangsu Simcere Pharmaceutical Co. Ltd, TBA, Genentech, St. Jude Children's Research Hospital, China Pharmaceutical University, Southern Medical University, University of Chinese Academy of Sciences] 1
- [Jiangsu Simcere Pharmaceutical Co. Ltd, TBA, Genentech, St. Jude Children's Research Hospital, China Pharmaceutical University, Southern Medical University, University of Chinese Academy of Sciences] 1
- [Jiangsu Simcere Pharmaceutical Co. Ltd, TBA, Genentech, St. Jude Children's Research Hospital, China Pharmaceutical University, Southern Medical University, University of Chinese Academy of Sciences] 1
Affinity: 0.10 to 1.7E+5 nM▿
- Ki 1
- IC50 28
- Kd 8
- EC50 5
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1