Found 5 hits for monomerid = 50238740 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 |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50238740
(CHEMBL4078577)Show SMILES OCCCNC(=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,(3.37,-11.66,;4.7,-12.43,;6.04,-11.67,;7.37,-12.44,;8.7,-11.68,;10.03,-12.45,;10.03,-13.99,;11.37,-11.68,;12.71,-12.46,;14.04,-11.69,;14.04,-10.14,;15.37,-9.37,;16.71,-10.14,;16.71,-11.69,;15.38,-12.46,;18.04,-9.36,;19.38,-10.13,;19.38,-11.62,;18.19,-12.89,;19.68,-12.47,;21.09,-13.03,;22.1,-11.75,;20.7,-12.1,;22.12,-10.23,;20.71,-9.65,;19.68,-10.88,;18.03,-7.82,;19.37,-7.05,;19.36,-5.52,;18.02,-4.75,;18.02,-3.21,;16.69,-5.53,;16.7,-7.07,)| Show InChI InChI=1S/C29H33NO3/c31-13-1-12-30-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,31-32H,1,12-18H2,(H,30,33)/b11-4+,29-28- | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | 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)) | BDBM50238740
(CHEMBL4078577)Show SMILES OCCCNC(=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,(3.37,-11.66,;4.7,-12.43,;6.04,-11.67,;7.37,-12.44,;8.7,-11.68,;10.03,-12.45,;10.03,-13.99,;11.37,-11.68,;12.71,-12.46,;14.04,-11.69,;14.04,-10.14,;15.37,-9.37,;16.71,-10.14,;16.71,-11.69,;15.38,-12.46,;18.04,-9.36,;19.38,-10.13,;19.38,-11.62,;18.19,-12.89,;19.68,-12.47,;21.09,-13.03,;22.1,-11.75,;20.7,-12.1,;22.12,-10.23,;20.71,-9.65,;19.68,-10.88,;18.03,-7.82,;19.37,-7.05,;19.36,-5.52,;18.02,-4.75,;18.02,-3.21,;16.69,-5.53,;16.7,-7.07,)| Show InChI InChI=1S/C29H33NO3/c31-13-1-12-30-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,31-32H,1,12-18H2,(H,30,33)/b11-4+,29-28- | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF-7 cells assessed as reduction of estradiol-induced PgR mRNA levels after 24 hrs by RT-PCR 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 | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50238740
(CHEMBL4078577)Show SMILES OCCCNC(=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,(3.37,-11.66,;4.7,-12.43,;6.04,-11.67,;7.37,-12.44,;8.7,-11.68,;10.03,-12.45,;10.03,-13.99,;11.37,-11.68,;12.71,-12.46,;14.04,-11.69,;14.04,-10.14,;15.37,-9.37,;16.71,-10.14,;16.71,-11.69,;15.38,-12.46,;18.04,-9.36,;19.38,-10.13,;19.38,-11.62,;18.19,-12.89,;19.68,-12.47,;21.09,-13.03,;22.1,-11.75,;20.7,-12.1,;22.12,-10.23,;20.71,-9.65,;19.68,-10.88,;18.03,-7.82,;19.37,-7.05,;19.36,-5.52,;18.02,-4.75,;18.02,-3.21,;16.69,-5.53,;16.7,-7.07,)| Show InChI InChI=1S/C29H33NO3/c31-13-1-12-30-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,31-32H,1,12-18H2,(H,30,33)/b11-4+,29-28- | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | 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 | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50238740
(CHEMBL4078577)Show SMILES OCCCNC(=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,(3.37,-11.66,;4.7,-12.43,;6.04,-11.67,;7.37,-12.44,;8.7,-11.68,;10.03,-12.45,;10.03,-13.99,;11.37,-11.68,;12.71,-12.46,;14.04,-11.69,;14.04,-10.14,;15.37,-9.37,;16.71,-10.14,;16.71,-11.69,;15.38,-12.46,;18.04,-9.36,;19.38,-10.13,;19.38,-11.62,;18.19,-12.89,;19.68,-12.47,;21.09,-13.03,;22.1,-11.75,;20.7,-12.1,;22.12,-10.23,;20.71,-9.65,;19.68,-10.88,;18.03,-7.82,;19.37,-7.05,;19.36,-5.52,;18.02,-4.75,;18.02,-3.21,;16.69,-5.53,;16.7,-7.07,)| Show InChI InChI=1S/C29H33NO3/c31-13-1-12-30-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,31-32H,1,12-18H2,(H,30,33)/b11-4+,29-28- | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF-7 cells assessed as reduction of estradiol-induced GREB1 mRNA levels after 24 hrs by RT-PCR 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 | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50238740
(CHEMBL4078577)Show SMILES OCCCNC(=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,(3.37,-11.66,;4.7,-12.43,;6.04,-11.67,;7.37,-12.44,;8.7,-11.68,;10.03,-12.45,;10.03,-13.99,;11.37,-11.68,;12.71,-12.46,;14.04,-11.69,;14.04,-10.14,;15.37,-9.37,;16.71,-10.14,;16.71,-11.69,;15.38,-12.46,;18.04,-9.36,;19.38,-10.13,;19.38,-11.62,;18.19,-12.89,;19.68,-12.47,;21.09,-13.03,;22.1,-11.75,;20.7,-12.1,;22.12,-10.23,;20.71,-9.65,;19.68,-10.88,;18.03,-7.82,;19.37,-7.05,;19.36,-5.52,;18.02,-4.75,;18.02,-3.21,;16.69,-5.53,;16.7,-7.07,)| Show InChI InChI=1S/C29H33NO3/c31-13-1-12-30-27(33)11-4-19-2-5-22(6-3-19)28(23-7-9-26(32)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,31-32H,1,12-18H2,(H,30,33)/b11-4+,29-28- | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF-7 cells assessed as reduction of estradiol-induced pS2 mRNA levels after 24 hrs by RT-PCR 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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