BindingDB

null

SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC

InChI Key InChIKey=IAKHMKGGTNLKSZ-INIZCTEOSA-N

PDB links: 21 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014846

ATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL

BDBM50014846((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)copy SMILEScopy InChI

IC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed

Targets 20 ▿
- Tubulin beta chain 31
- Similar to alpha-tubulin isoform 1 18
- Tubulin beta-2B chain 6
- Tubulin alpha-1A chain 5
- ATP-dependent translocase ABCB1 5
- Bile salt export pump 3
- Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain 3
- Reverse transcriptase 1
- Solute carrier family 22 member 3 1
- Tubulin polymerization-promoting protein 1
- Steroidogenic factor 1 1
- Histone deacetylase 2 1
- Histone deacetylase 3 1
- Nuclear receptor subfamily 0 group B member 1 1
- Serine/threonine-protein kinase pim-1 1
- Histone deacetylase 1 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- Cytochrome P450 3A4 1
- ...
Publications 50 ▿
- J Med Chem 46: 1716-25 (2003) 6
- Toxicol Sci 136: 216-41 (2013) 4
- Eur J Med Chem 95: 127-35 (2015) 3
- Bioorg Med Chem Lett 9: 407-12 (1999) 3
- J Med Chem 46: 3382-94 (2003) 2
- J Med Chem 55: 11062-6 (2012) 2
- J Med Chem 52: 1284-94 (2009) 2
- J Med Chem 40: 3524-33 (1997) 2
- Bioorg Med Chem 19: 4183-91 (2011) 2
- Eur J Med Chem 162: 612-630 (2019) 1
- Bioorg Med Chem Lett 3: 565-570 (1993) 1
- Bioorg Med Chem Lett 12: 465-9 (2002) 1
- J Med Chem 41: 1155-62 (1998) 1
- J Med Chem 43: 4479-87 (2000) 1
- Bioorg Med Chem 26: 3474-3490 (2018) 1
- Eur J Med Chem 112: 367-72 (2016) 1
- J Med Chem 44: 3932-6 (2001) 1
- J Med Chem 43: 167-76 (2000) 1
- J Med Chem 50: 6059-66 (2007) 1
- J Med Chem 41: 4965-72 (1998) 1
- J Med Chem 63: 827-846 (2020) 1
- J Med Chem 58: 9309-33 (2015) 1
- J Med Chem 49: 7816-25 (2006) 1
- Eur J Med Chem 77: 306-14 (2014) 1
- Bioorg Med Chem Lett 3: 581-584 (1993) 1
- Eur J Med Chem 90: 603-19 (2015) 1
- Bioorg Med Chem 22: 4285-92 (2014) 1
- Bioorg Med Chem Lett 2: 1257-1262 (1992) 1
- Nat Neurosci 1: 349-51 (1999) 1
- PubChem Bioassay (2013) 1
- Eur J Med Chem 134: 357-365 (2017) 1
- J Med Chem 23: 546-9 (1980) 1
- J Med Chem 40: 2266-75 (1997) 1
- Eur J Med Chem 99: 125-37 (2015) 1
- J Med Chem 40: 3049-56 (1997) 1
- J Med Chem 37: 1126-35 (1994) 1
- Eur J Med Chem 184: (2019) 1
- Bioorg Med Chem Lett 12: 3191-3 (2002) 1
- J Med Chem 37: 3400-7 (1994) 1
- J Med Chem 54: 4247-63 (2011) 1
- Eur J Med Chem 93: 291-9 (2015) 1
- Bioorg Med Chem 19: 595-602 (2011) 1
- Bioorg Med Chem Lett 11: 1393-6 (2001) 1
- Bioorg Med Chem 23: 4230-6 (2015) 1
- J Med Chem 40: 3836-41 (1997) 1
- Bioorg Med Chem Lett 28: 3634-3638 (2018) 1
- Eur J Med Chem 178: 177-194 (2019) 1
- J Med Chem 59: 5341-55 (2016) 1
- J Med Chem 54: 3200-5 (2011) 1
- Bioorg Med Chem Lett 8: 1997-2000 (1998) 1
- ...
Institutions 34 ▿
- [Westphalian Wilhelms-University] 8
- [F. Hoffmann-LaRoche Ltd.] 6
- [TBA, University of Virginia, Amgen Inc] 4
- [TBA, University of Virginia, Amgen Inc] 4
- [TBA, University of Virginia, Amgen Inc] 4
- [University of North Carolina, Taipei Medical University, East China Normal University, Universit£t Regensburg, Nanjing University] 3
- [University of North Carolina, Taipei Medical University, East China Normal University, Universit£t Regensburg, Nanjing University] 3
- [University of North Carolina, Taipei Medical University, East China Normal University, Universit£t Regensburg, Nanjing University] 3
- [University of North Carolina, Taipei Medical University, East China Normal University, Universit£t Regensburg, Nanjing University] 3
- [University of North Carolina, Taipei Medical University, East China Normal University, Universit£t Regensburg, Nanjing University] 3
- [University of North Carolina at Chapel Hill, University of Bradford] 2
- [University of North Carolina at Chapel Hill, University of Bradford] 2
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- [Abbott Laboratories, Chinese Academy of Sciences, CancerCare Manitoba, University of Tokyo, University of Tennessee Health Science Center, University of North Carolina at Chapel Hill 27599, China Medical College, University of Sheffield, Shandong University, The Scripps Research Institute Molecular Screening Center, Rohm and Haas Company, Second Military Medical University, CSIR-Indian Institute of Chemical Technology, Tokyo University of Pharmacy and Life Sciences, Ain Shams University, University of Heidelberg, Fudan University, Shanghai Institute of Materia Medica, Daiichi Pharmaceutical Co. Ltd., School of Pharmacy, Southern Medical University, National Research Centre] 1
- ...
Affinity: 1.6 to 1.1E+7 nM▿
- Ki 5
- IC50 76
- Kd 2
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1