BindingDB

null

SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC

InChI Key InChIKey=HYIMSNHJOBLJNT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50101817

ATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL

BDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)copy SMILEScopy InChI

IC50: 1.66E+4nMAssay Description:Inhibition of human MRP4 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 Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase DrugBank MCE
KEGG PC cid PC sid Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed

Bile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL

BDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)copy SMILEScopy InChI

IC50: 6.40E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase DrugBank MCE
KEGG PC cid PC sid Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed

ATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL

BDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)copy SMILEScopy InChI

IC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase DrugBank MCE
KEGG PC cid PC sid Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed DrugBank

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

Curated by ChEMBL

BDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)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 DrugBank MCE
KEGG PC cid PC sid Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed

Targets 25 ▿
- Voltage-dependent L-type calcium channel subunit alpha-1C 9
- Voltage-dependent L-type calcium channel subunit alpha-1S 8
- Bile salt export pump 5
- Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S 2
- Acetylcholinesterase 2
- Cholinesterase 2
- Potassium two pore domain channel subfamily K member 2 1
- Potassium voltage-gated channel subfamily A member 1 1
- Cytochrome P450 2J2 1
- ATP-dependent translocase ABCB1 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C 1
- Cytochrome P450 1A2 1
- ATP-binding cassette sub-family C member 2 1
- Potassium channel subfamily K member 2 1
- Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor 1
- Cytochrome P450 2C9 1
- Voltage-dependent L-type calcium channel subunit alpha-1F 1
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
- Cytochrome P450 2C19 1
- Myosin light chain kinase, smooth muscle 1
- Cytochrome P450 2D6 1
- Sodium channel protein type 1/2/3 subunit alpha 1
- Cytochrome P450 3A4 1
Publications 18 ▿
- J Appl Toxicol 32: 858-66 (2012) 6
- Drug Metab Dispos 41: 60-71 (2012) 6
- Toxicol Sci 136: 216-41 (2013) 4
- Drug Metab Dispos 40: 130-8 (2011) 2
- Chem Biol Drug Des 88: 807-819 (2016) 1
- J Med Chem 62: 11416-11422 (2019) 1
- J Med Chem 32: 2399-406 (1989) 1
- J Med Chem 29: 2504-11 (1986) 1
- J Med Chem 59: 5149-57 (2016) 1
- J Med Chem 60: 2245-2256 (2017) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- J Nat Prod 56: 1007-15 (1993) 1
- Eur J Pharm Sci 16: 159-65 (2002) 1
- Sci Rep 3: (2013) 1
- J Med Chem 28: 381-8 (1985) 1
- Hepatology 60: 1015-22 (2014) 1
- Bioorg Med Chem 23: 6689-713 (2015) 1
- J Med Chem 31: 1659-64 (1988) 1
Institutions 16 ▿
- [Tongji University, Jagiellonian University] 6
- [Tongji University, Jagiellonian University] 6
- [Amgen Inc] 4
- [AstraZeneca] 3
- [TBA] 2
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
- [Pfizer Inc., Dublin Institute of Technology, Warner-Lambert Company, Rashtrasant Tukadoji Maharaj Nagpur University, Korea Institute of Science and Technology, University of Brussels, Suntory Institute for Biomedical Research, Universit£ Bourgogne Franche-Comt£, Universit£ Clermont Auvergne, Kyoto Pharmaceutical University, ChanTest Corporation] 1
Affinity: 1.7 to 4.7E+5 nM▿
- Ki 6
- IC50 40
- EC50 1
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1