BDBM404263 2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetamide::US10017502, Example 3b
SMILES: NC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
InChI Key: InChIKey=WSOYYBRZDOKCSB-LBPRGKRZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM404263 (2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd Curated by ChEMBL | Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay | J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM404263 (2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd Curated by ChEMBL | Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay | J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM404263 (2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd Curated by ChEMBL | Assay Description Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assay | J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor [729-984] (Homo sapiens (Human)) | BDBM404263 (2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description Test A1 and A2: In order to identify binding to the human MR LBD a scintillation proximity assay (SPA) was adapted to the 384-well format. The MR-LBD... | US Patent US10017502 (2018) BindingDB Entry DOI: 10.7270/Q2862JSV | |||||||||||
More data for this Ligand-Target Pair |