Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50016235 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)) | BDBM50593468
(CHEMBL5199803)Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)C(=O)CNc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12 |c:14| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593464
(CHEMBL5184399)Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O |c:14| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593462
(CHEMBL5178058)Show SMILES CNCCOc1ccc(cc1)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593471
(CHEMBL5195371)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCNS(O)(=O)=O)cc2)c2ccc(O)cc2oc1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593476
(CHEMBL5191405)Show SMILES CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593472
(CHEMBL5174813)Show SMILES Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2Cc3ccccc3C=C2)cc1 |c:40| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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PC cid
PC sid
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UniChem
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Similars
| PDB
Article
PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593473
(CHEMBL5207726)Show SMILES Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2C(=O)CCC2=O)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593466
(CHEMBL5187253)Show SMILES Oc1ccc-2c(NN(CC(=O)COCN3CCCCC3)c3c-2c(=O)oc2cc(O)ccc32)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593475
(CHEMBL5178110)Show SMILES Cc1cc(ccc1OCCN1Cc2cccnc2C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |t:24| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50180684
(4-OHT | Afimoxifene | TamoGel)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | PDB
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MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593474
(CHEMBL5203282)Show SMILES Cc1cc(ccc1OCCN1Cc2ncccc2C=C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |c:20,t:25| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50180684
(4-OHT | Afimoxifene | TamoGel)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593463
(CHEMBL5209099)Show SMILES CNCCOc1ccc(cc1)N1Nc2c(-c3ccc(O)cc13)c(=O)oc1cc(O)ccc21 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593477
(CHEMBL5194045)Show SMILES CC(CN1CCCC2CCCNC12)OCC(=O)N1NC2C(COc3cc(O)ccc23)c2ccc(O)cc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593467
(CHEMBL5196340)Show SMILES Oc1ccc-2c(c1)N(CC(=O)COCN1CCCCC1)Nc1c-2c(=O)oc2cc(O)ccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593469
(CHEMBL5181808)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2[nH]c1=O |c:21| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593470
(CHEMBL5187730)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2oc1=O |c:21| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593472
(CHEMBL5174813)Show SMILES Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2Cc3ccccc3C=C2)cc1 |c:40| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593465
(CHEMBL5198828)Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2c(-c3ccc(O)cc13)c(=O)oc1cc(O)ccc21 |c:14| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593475
(CHEMBL5178110)Show SMILES Cc1cc(ccc1OCCN1Cc2cccnc2C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |t:24| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593476
(CHEMBL5191405)Show SMILES CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593474
(CHEMBL5203282)Show SMILES Cc1cc(ccc1OCCN1Cc2ncccc2C=C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |c:20,t:25| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593469
(CHEMBL5181808)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2[nH]c1=O |c:21| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593470
(CHEMBL5187730)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2oc1=O |c:21| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593462
(CHEMBL5178058)Show SMILES CNCCOc1ccc(cc1)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593471
(CHEMBL5195371)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCNS(O)(=O)=O)cc2)c2ccc(O)cc2oc1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593466
(CHEMBL5187253)Show SMILES Oc1ccc-2c(NN(CC(=O)COCN3CCCCC3)c3c-2c(=O)oc2cc(O)ccc32)c1 | PDB
UniProtKB/SwissProt
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TBA
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50593464
(CHEMBL5184399)Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O |c:14| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593471
(CHEMBL5195371)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCNS(O)(=O)=O)cc2)c2ccc(O)cc2oc1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50180684
(4-OHT | Afimoxifene | TamoGel)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | PDB
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TBA
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50593476
(CHEMBL5191405)Show SMILES CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50593475
(CHEMBL5178110)Show SMILES Cc1cc(ccc1OCCN1Cc2cccnc2C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |t:24| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50593474
(CHEMBL5203282)Show SMILES Cc1cc(ccc1OCCN1Cc2ncccc2C=C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |c:20,t:25| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50593473
(CHEMBL5207726)Show SMILES Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2C(=O)CCC2=O)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50593472
(CHEMBL5174813)Show SMILES Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2Cc3ccccc3C=C2)cc1 |c:40| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593462
(CHEMBL5178058)Show SMILES CNCCOc1ccc(cc1)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593464
(CHEMBL5184399)Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O |c:14| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593466
(CHEMBL5187253)Show SMILES Oc1ccc-2c(NN(CC(=O)COCN3CCCCC3)c3c-2c(=O)oc2cc(O)ccc32)c1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593468
(CHEMBL5199803)Show SMILES Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)C(=O)CNc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12 |c:14| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593469
(CHEMBL5181808)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2[nH]c1=O |c:21| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593470
(CHEMBL5187730)Show SMILES Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2oc1=O |c:21| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593472
(CHEMBL5174813)Show SMILES Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2Cc3ccccc3C=C2)cc1 |c:40| | PDB
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593473
(CHEMBL5207726)Show SMILES Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2C(=O)CCC2=O)cc1 | PDB
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593474
(CHEMBL5203282)Show SMILES Cc1cc(ccc1OCCN1Cc2ncccc2C=C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |c:20,t:25| | PDB
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593475
(CHEMBL5178110)Show SMILES Cc1cc(ccc1OCCN1Cc2cccnc2C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |t:24| | PDB
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TBA
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50593476
(CHEMBL5191405)Show SMILES CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12 | PDB
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Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair | |
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