BindingDB

null

SMILES N#Cc1cc(ccn1)-c1n[nH]c(n1)-c1ccncc1

InChI Key InChIKey=UBVZQGOVTLIHLH-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50267750

Xanthine dehydrogenase/oxidase(Bos taurus (Bovine))
China Medical University

Curated by ChEMBL

BDBM50267750(CHEMBL1078685)copy SMILEScopy InChI

IC50: 21nMAssay Description:Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...More data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

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Details Article
BindingDB Entry DOI: 10.7270/Q22J6G9VPubMed PDB

3D Structure (crystal)

Xanthine dehydrogenase/oxidase(Bos taurus (Bovine))
China Medical University

Curated by ChEMBL

BDBM50267750(CHEMBL1078685)copy SMILEScopy InChI

IC50: 15nMAssay Description:Antagonistic activity against the P2X7 ion channelMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Purchase MCE
PC cid PC sid PDB

Details Article
BindingDB Entry DOI: 10.7270/Q2FJ2K90PubMed PDB

3D Structure (crystal)

Targets 2 ▿
- Xanthine dehydrogenase/oxidase 7
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
Publications 7 ▿
- Eur J Med Chem 135: 491-516 (2017) 1
- Bioorg Med Chem Lett 29: 525-528 (2019) 1
- Eur J Med Chem 146: 668-677 (2018) 1
- Eur J Med Chem 183: (2019) 1
- Eur J Med Chem 141: 362-372 (2017) 1
- Eur J Med Chem 166: 186-196 (2019) 1
- Eur J Med Chem 140: 20-30 (2017) 1
Institutions 6 ▿
- [China Medical University] 2
- [Shenyang Pharmaceutical University, West China Hospital of Sichuan University, South China University of Technology, Guangzhou General Pharmaceutical Research Institute Co., Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia.] 1
- [Shenyang Pharmaceutical University, West China Hospital of Sichuan University, South China University of Technology, Guangzhou General Pharmaceutical Research Institute Co., Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia.] 1
- [Shenyang Pharmaceutical University, West China Hospital of Sichuan University, South China University of Technology, Guangzhou General Pharmaceutical Research Institute Co., Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia.] 1
- [Shenyang Pharmaceutical University, West China Hospital of Sichuan University, South China University of Technology, Guangzhou General Pharmaceutical Research Institute Co., Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia.] 1
- [Shenyang Pharmaceutical University, West China Hospital of Sichuan University, South China University of Technology, Guangzhou General Pharmaceutical Research Institute Co., Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia.] 1
Affinity: 4.8 to 5.3E+3 nM▿
- Ki 2
- IC50 6
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1