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 |
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Glucocorticoid receptor (RAT) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00379 BindingDB Entry DOI: 10.7270/Q2VM4H3N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Glucocorticoid receptor (RAT) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00299 BindingDB Entry DOI: 10.7270/Q2N87FSM | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
ATP-dependent translocase ABCB1 (Mus musculus (Mouse)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | 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, mouse L-mdr1a 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 | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | 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 | |||||||||||||
ATP-dependent translocase ABCB1 (Mus musculus) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | 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, mouse L-mdr1b 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 | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | 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 | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | 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 | |||||||||||||
Cytochrome P450 2J2 (Homo sapiens (Human)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method | Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL | Assay Description Inhibition of human cytochrome P450 3A4 | 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 | |||||||||||||
Androgen receptor (Rattus norvegicus (Rat)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.82E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) | J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair |