Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50238715' 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)) | BDBM50238715
(CHEMBL4098470)Show SMILES CCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(51.08,-9.16,;52.42,-9.94,;53.75,-9.17,;55.08,-9.95,;56.42,-9.18,;57.75,-9.96,;57.74,-11.5,;59.09,-9.19,;60.42,-9.96,;61.76,-9.19,;61.76,-7.65,;63.09,-6.88,;64.42,-7.64,;64.43,-9.19,;63.09,-9.96,;65.76,-6.86,;67.09,-7.63,;67.1,-9.12,;65.9,-10.39,;67.4,-9.98,;68.81,-10.53,;69.82,-9.26,;68.42,-9.6,;69.84,-7.73,;68.43,-7.16,;67.39,-8.39,;65.75,-5.32,;67.08,-4.56,;67.08,-3.02,;65.74,-2.25,;65.73,-.71,;64.41,-3.04,;64.42,-4.57,)| Show InChI InChI=1S/C30H35NO2/c1-2-3-14-31-28(33)13-6-20-4-7-23(8-5-20)29(24-9-11-27(32)12-10-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h4-13,21-22,25-26,32H,2-3,14-19H2,1H3,(H,31,33)/b13-6+,30-29- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting |
J Med Chem 60: 6321-6336 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50238715
(CHEMBL4098470)Show SMILES CCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(51.08,-9.16,;52.42,-9.94,;53.75,-9.17,;55.08,-9.95,;56.42,-9.18,;57.75,-9.96,;57.74,-11.5,;59.09,-9.19,;60.42,-9.96,;61.76,-9.19,;61.76,-7.65,;63.09,-6.88,;64.42,-7.64,;64.43,-9.19,;63.09,-9.96,;65.76,-6.86,;67.09,-7.63,;67.1,-9.12,;65.9,-10.39,;67.4,-9.98,;68.81,-10.53,;69.82,-9.26,;68.42,-9.6,;69.84,-7.73,;68.43,-7.16,;67.39,-8.39,;65.75,-5.32,;67.08,-4.56,;67.08,-3.02,;65.74,-2.25,;65.73,-.71,;64.41,-3.04,;64.42,-4.57,)| Show InChI InChI=1S/C30H35NO2/c1-2-3-14-31-28(33)13-6-20-4-7-23(8-5-20)29(24-9-11-27(32)12-10-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h4-13,21-22,25-26,32H,2-3,14-19H2,1H3,(H,31,33)/b13-6+,30-29- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Downregulation of human ERalpha in human MCF-7 cells after 24 hrs by in-cell Western immunoassay method |
J Med Chem 60: 6321-6336 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7 |
More data for this
Ligand-Target Pair | |
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