Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50398938' 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 |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50398938
(CHEMBL2178792)Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(39.48,-40.05,;39.15,-38.54,;40.29,-37.51,;39.96,-36,;38.56,-35.38,;38.71,-33.85,;40.22,-33.52,;40.99,-34.86,;42.52,-35.01,;43.41,-33.76,;44.94,-33.91,;45.58,-35.32,;47.11,-35.48,;44.68,-36.57,;43.15,-36.42,;42.25,-37.67,;40.84,-32.12,;42.37,-31.96,;42.99,-30.55,;42.08,-29.31,;42.7,-27.9,;40.54,-29.48,;39.93,-30.89,;37.22,-36.16,;35.88,-35.4,;34.55,-36.17,;34.55,-37.71,;33.22,-38.48,;35.89,-38.48,;37.22,-37.71,;38.56,-38.48,)| Show InChI InChI=1S/C25H21F2NO3/c1-2-11-28-24(19-9-7-17(30)12-22(19)26)14-21(15-3-5-16(29)6-4-15)25(28)20-10-8-18(31)13-23(20)27/h3-10,12-14,29-31H,2,11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control |
J Med Chem 55: 9607-18 (2012)
Article DOI: 10.1021/jm300860j BindingDB Entry DOI: 10.7270/Q2R212H2 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50398938
(CHEMBL2178792)Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(39.48,-40.05,;39.15,-38.54,;40.29,-37.51,;39.96,-36,;38.56,-35.38,;38.71,-33.85,;40.22,-33.52,;40.99,-34.86,;42.52,-35.01,;43.41,-33.76,;44.94,-33.91,;45.58,-35.32,;47.11,-35.48,;44.68,-36.57,;43.15,-36.42,;42.25,-37.67,;40.84,-32.12,;42.37,-31.96,;42.99,-30.55,;42.08,-29.31,;42.7,-27.9,;40.54,-29.48,;39.93,-30.89,;37.22,-36.16,;35.88,-35.4,;34.55,-36.17,;34.55,-37.71,;33.22,-38.48,;35.89,-38.48,;37.22,-37.71,;38.56,-38.48,)| Show InChI InChI=1S/C25H21F2NO3/c1-2-11-28-24(19-9-7-17(30)12-22(19)26)14-21(15-3-5-16(29)6-4-15)25(28)20-10-8-18(31)13-23(20)27/h3-10,12-14,29-31H,2,11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control |
J Med Chem 55: 9607-18 (2012)
Article DOI: 10.1021/jm300860j BindingDB Entry DOI: 10.7270/Q2R212H2 |
More data for this Ligand-Target Pair | |