Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of BCRP (unknown origin) expressed in human HEK293/R2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by ... | 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 | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 8.70 | 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 | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of BCRP in human MCF7/MX100 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 | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of BCRP (unknown origin) | 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 | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
BMSSI UMR5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL | Assay Description Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0... | J Med Chem 57: 2930-41 (2014) Article DOI: 10.1021/jm401879z BindingDB Entry DOI: 10.7270/Q2Q81FMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
BMSSI UMR5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL | Assay Description Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux after 30 mins by flow cytometry relati... | J Med Chem 57: 2930-41 (2014) Article DOI: 10.1021/jm401879z BindingDB Entry DOI: 10.7270/Q2Q81FMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
TBA | Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL | Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in mitoxantrone-selected human H460 cells after 30 mins by flow cytometric analysis | J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 74 | n/a | n/a | n/a | n/a |
Universit£ Lyon 1 Curated by ChEMBL | Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by flow cytometric analysis | Eur J Med Chem 122: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.05.053 BindingDB Entry DOI: 10.7270/Q28K7C22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL | Assay Description Inhibition of ABCG2 (unknown origin)-mediated mitoxantrone efflux expressed in HEK293 cells after 30 mins by flow cytometric analysis | J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of ABCG2 (unknown origin) in HEK293 cells assessed as maximal inhibition of mitoxantrone efflux by fluorescence based flow cytometry | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112503 BindingDB Entry DOI: 10.7270/Q29027FW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 943 | 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 potentiation of mitoxantrone-induced cytotoxicity after 5 days by MT... | 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)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.06E+3 | 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 | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.80E+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 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by ... | 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)) | BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.95E+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 |