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BDBM50338982 (R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile::(S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::(S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile; hydrochloride::(S)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile::(Verapamil) 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-isopropyl-amino}-2-methyl-pentanenitrile(Verapamil)::2-(3,4-dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::4-[3,4-dimethoxyphenethyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-1-isopropylbutyl cyanide::5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile::5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile::5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(4-methoxy-phenyl)-pentanenitrile::CP-16533-1::Calan::Calan SR::Covera-HS::D-365::Iproveratril::Isoptin::Isoptin SR::Tarka::VERAPAMIL::Verapamil;2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::Verapramil::Verelan::verapamil-R
SMILES: COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
InChI Key: InChIKey=SGTNSNPWRIOYBX-HHHXNRCGSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet  | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bulgarian Academy of Sciences Curated by ChEMBL | Assay Description Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini... | J Med Chem 45: 5671-86 (2002) BindingDB Entry DOI: 10.7270/Q23B60VG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation using human liver microsomes | Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation using a recombinant system | Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells | Pharm Res 19: 765-72 (2002) BindingDB Entry DOI: 10.7270/Q2BZ67B1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay | Bioorg Med Chem 15: 7470-9 (2007) Article DOI: 10.1016/j.bmc.2007.07.024 BindingDB Entry DOI: 10.7270/Q20V8F0N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein by Hoechst assay | Bioorg Med Chem 15: 7470-9 (2007) Article DOI: 10.1016/j.bmc.2007.07.024 BindingDB Entry DOI: 10.7270/Q20V8F0N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.35E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assay | Bioorg Med Chem 15: 7470-9 (2007) Article DOI: 10.1016/j.bmc.2007.07.024 BindingDB Entry DOI: 10.7270/Q20V8F0N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells | Anticancer Drugs 14: 175-81 (2003) Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells | Anticancer Drugs 14: 175-81 (2003) Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University Curated by ChEMBL | Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells | Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Membrane Research Group of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description TP_TRANSPORTER: efflux of Hoechst33342 in BCRP-expressing Sf9 cells | Mol Pharmacol 65: 1485-95 (2004) Article DOI: 10.1124/mol.65.6.1485 BindingDB Entry DOI: 10.7270/Q20V8F2J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells | Drug Metab Dispos 28: 655-60 (2000) BindingDB Entry DOI: 10.7270/Q2959JTX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of JC-1 efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Tetramethylrosamine efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cells | J Med Chem 51: 1415-22 (2008) Article DOI: 10.1021/jm701267q BindingDB Entry DOI: 10.7270/Q2QN67NC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Fluo-3-AM efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Daunorubicin efflux (Daunorubicin: ? uM) in G185 cells | Drug Metab Dispos 29: 1080-3 (2001) BindingDB Entry DOI: 10.7270/Q2WW7JX1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.79E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP) | Pharm Res 20: 537-44 (2003) BindingDB Entry DOI: 10.7270/Q2S46T7G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: increase in bodipy intracellular accumulation (Bodipy: 0.2 uM) in SK-E2 cells (expressing BSEP) | Pharm Res 20: 537-44 (2003) BindingDB Entry DOI: 10.7270/Q2S46T7G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC | J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells | Bioorg Med Chem 16: 362-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.039 BindingDB Entry DOI: 10.7270/Q2ST7QQS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay | Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of Pgp by daunorubicin accumulation assay | Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of Pgp by daunorubicin accumulation assay | Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay | Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serum albumin (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 6.46E+5 | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Binding affinity to human serum albumin by PAMPA method | J Med Chem 51: 2009-17 (2008) Article DOI: 10.1021/jm7012826 BindingDB Entry DOI: 10.7270/Q28053XB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay | Bioorg Med Chem 16: 8224-36 (2008) Article DOI: 10.1016/j.bmc.2008.07.034 BindingDB Entry DOI: 10.7270/Q2765GK5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Università degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein-mediated [3H]vinblastine transport in human Caco2 cells | Bioorg Med Chem Lett 18: 3741-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.055 BindingDB Entry DOI: 10.7270/Q2MW2GXT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human MRP1 in human 2008 cells | Bioorg Med Chem Lett 18: 4761-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells | Bioorg Med Chem Lett 18: 4761-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adrenergic Alpha (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | J Med Chem 51: 5932-42 (2008) Article DOI: 10.1021/jm8003152 BindingDB Entry DOI: 10.7270/Q23779MD | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The State University of New York Curated by ChEMBL | Assay Description Inhibition of human MDR1 expressed in MDCK2 cells assessed as enhancement of Calcein-AM uptake treated 30 mins before Calcein-AM challenge measured a... | J Med Chem 52: 3328-41 (2009) Article DOI: 10.1021/jm900253g BindingDB Entry DOI: 10.7270/Q29Z94SF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description TP_TRANSPORTER: transepithelial transport of fexofenadine in Caco-2 cells | Pharm Res 21: 1398-404 (2004) BindingDB Entry DOI: 10.7270/Q2M909X4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Chloroquine resistance transporter (Plasmodium falciparum) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptak... | J Med Chem 55: 10387-404 (2012) Article DOI: 10.1021/jm300831b BindingDB Entry DOI: 10.7270/Q2N017PR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Chloroquine resistance transporter (Plasmodium falciparum) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake... | J Med Chem 55: 6948-67 (2012) Article DOI: 10.1021/jm300802s BindingDB Entry DOI: 10.7270/Q2319X1X | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Università degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of Pgp measured as inhibition of [3H]vinblastine basolateral to apical transport in Caco-2 cells | J Med Chem 49: 6607-13 (2006) Article DOI: 10.1021/jm060639z BindingDB Entry DOI: 10.7270/Q2HQ3ZJD | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bulgarian Academy of Sciences Curated by ChEMBL | Assay Description Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity model | J Med Chem 45: 5671-86 (2002) BindingDB Entry DOI: 10.7270/Q23B60VG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
