BDBM18628 (18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-trifluoro-1-hydroxyethyl)thiophen-2-yl]methylidene}-17-oxa-6-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2(7),3,8,11,13,15-heptaen-13-ol::secondary alcohol, 15
SMILES: COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
InChI Key: InChIKey=MJQKPIOTILTXNU-ODLFYWEKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM18628 ((18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-tri...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | -11.2 | 0.400 | n/a | 0.300 | n/a | n/a | 7.5 | 4 |
Ligand Pharmaceuticals Inc. | Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the... | J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM18628 ((18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-tri...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc. | Assay Description The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I... | J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM18628 ((18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-tri...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc. | Assay Description The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I... | J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18628 ((18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-tri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc. | Assay Description The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I... | J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT | |||||||||||
More data for this Ligand-Target Pair |