null
SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
InChI Key: InChIKey=PMATZTZNYRCHOR-CGLBZJNRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc. Curated by ChEMBL | Assay Description Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... | J Med Chem 61: 9473-9499 (2018) Article DOI: 10.1021/acs.jmedchem.8b00802 BindingDB Entry DOI: 10.7270/Q2ZG6VTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCB1 in human A2780/ADR cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition meas... | Eur J Med Chem 139: 587-611 (2017) Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCC1 in human H69AR cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition measured... | Eur J Med Chem 139: 587-611 (2017) Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I... | J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Binding affinity to Cyclophilin A (unknown origin) by surface plasmon resonance analysis | J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Binding affinity to Cyclophilin B (unknown origin) by surface plasmon resonance analysis | J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea | Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ... | Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of CypA (unknown origin) assessed as peptidyl-prolyl cis-trans isomerase activity using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as subst... | Bioorg Med Chem Lett 25: 5682-6 (2015) Article DOI: 10.1016/j.bmcl.2015.11.002 BindingDB Entry DOI: 10.7270/Q27S7RSS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay | J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assay | J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of paclitaxel resistance after 5 days by MTS/PMS assay | J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Ocean University of China Curated by ChEMBL | Assay Description Modulation of p-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversal of paclitaxel resistance | J Med Chem 56: 9057-70 (2013) Article DOI: 10.1021/jm400930e BindingDB Entry DOI: 10.7270/Q2CF9T19 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis | J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+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-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay | Bioorg Med Chem 17: 2524-35 (2009) Article DOI: 10.1016/j.bmc.2009.01.072 BindingDB Entry DOI: 10.7270/Q2X63QS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCB1 in human A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured at 60 secs time interval by fluore... | J Med Chem 62: 4383-4400 (2019) Article DOI: 10.1021/acs.jmedchem.8b01821 BindingDB Entry DOI: 10.7270/Q2X06BDS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
Merck Healthcare Curated by ChEMBL | Assay Description Binding affinity to CypD (unknown origin) assessed as dissociation constant by SPR analysis | Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCB1 in human A2780/ADR cells assessed as calcein-AM accumulation preincubated for 30 mins followed by calcein-AM addition measured ov... | Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026 BindingDB Entry DOI: 10.7270/Q23N26P9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCC1 in human H69AR cells assessed as calcein-AM accumulation preincubated for 30 mins followed by calcein-AM addition measured over 6... | Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026 BindingDB Entry DOI: 10.7270/Q23N26P9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCC1 in human H69AR cells preincubated for 30 mins before calcein AM addition by calcein AM assay | J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330 BindingDB Entry DOI: 10.7270/Q2HH6PJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCC1 in human H69AR cells preincubated for 30 mins before calcein AM addition by calcein AM assay | J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330 BindingDB Entry DOI: 10.7270/Q2HH6PJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCB1 in human A2780adr cells preincubated for 30 mins before calcein AM addition by calcein AM assay | J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330 BindingDB Entry DOI: 10.7270/Q2HH6PJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCB1 in human A2780adr cells preincubated for 30 mins before calcein AM addition by calcein AM assay | J Med Chem 59: 5449-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00330 BindingDB Entry DOI: 10.7270/Q2HH6PJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of ABCB1 in human A2780/ADR cells assessed as reduction in calcein AM efflux pre-incubated for 30 mins before calcein AM addition and meas... | J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chemistry and Technology Prague Curated by ChEMBL | Assay Description Inhibition of rabbit SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 10 mins by colorimetric method | J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of OATP1B1 (unknown origin) mediated [3H]-estrone sulfate uptake expressed in human HepG2 cells | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01484 BindingDB Entry DOI: 10.7270/Q2F76H7P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of ABCB1 (unknown origin) expressed in human A2780 ADR cells assessed as reduction in calcein AM efflux preincubated for 30 mins followed ... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.113045 BindingDB Entry DOI: 10.7270/Q2CC14CS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of ABCC1 (unknown origin) expressed in human NCI-H69AR cells assessed as reduction in calcein AM efflux preincubated for 30 mins followed ... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.113045 BindingDB Entry DOI: 10.7270/Q2CC14CS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB 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 |
TBA | Assay Description Inhibition of human BSEP expressed in HEK293 cell membrane vesicles assessed as reduction in 3H-TCA uptake incubated for 5 mins by radiodetection met... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00524 BindingDB Entry DOI: 10.7270/Q2TX3JZP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human ABCB1 expressed in A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured every 60 secs for 60 min... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00961 BindingDB Entry DOI: 10.7270/Q2ZS317X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human ABCC1 expressed in MDCK2 cells preincubated for 30 mins followed by calcein AM addition and measured every 60 secs for 60 mins by... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00961 BindingDB Entry DOI: 10.7270/Q2ZS317X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 632 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of benzmarone-stimulated MRP3 ATPase activity (unknown origin) in presence of GSH | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of sulfasalazine-stimulated MRP2 ATPase activity (unknown origin) in presence of GSH | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >6.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of sulfasalazine-stimulated BCRP ATP ase activity (unknown origin) | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of NEM-GS-stimulated MRP1 ATPase activity (unknown origin) in presence of GSH | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of paclitaxel stimulated- P-gp ATPase activity (unknown origin) | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of P-glycoprotein in human MCF7/ADR cells assessed as reversal fold by measuring reduction in doxorubicin IC50 at 5 uM incubated for 48 hr... | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113336 BindingDB Entry DOI: 10.7270/Q2QF8XMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcineurin subunit B type 1 (Homo sapiens) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CNB (unknown origin) using p-NPP as substrate preincubated for 10 mins followed by substrate addition by spectrophotometry analysis | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00118 BindingDB Entry DOI: 10.7270/Q2XK8KCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair |
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