Found 27 hits with Last Name = 'prossnitz' and Initial = 'er' 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)) | 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
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor beta
(Mus musculus) | BDBM50303804
((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...)Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22| Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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MCE
PC cid
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UniChem
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| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Binding affinity to ERbeta receptor in mouse COS7 cells by competitive binding assay |
Nat Chem Biol 5: 421-7 (2009)
Article DOI: 10.1038/nchembio.168
BindingDB Entry DOI: 10.7270/Q2RB74TZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Mus musculus) | BDBM50303803
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor in mouse COS7 cells by competitive binding assay |
Nat Chem Biol 5: 421-7 (2009)
Article DOI: 10.1038/nchembio.168
BindingDB Entry DOI: 10.7270/Q2RB74TZ |
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
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
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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| PDB
Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36492
(E2-NMe3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(cc1)[N+](C)(C)C |r| Show InChI InChI=1S/C29H35NO2/c1-28-16-14-25-24-12-10-23(31)19-21(24)7-11-26(25)27(28)15-18-29(28,32)17-13-20-5-8-22(9-6-20)30(2,3)4/h5-6,8-10,12,19,25-27,32H,7,11,14-16,18H2,1-4H3/p+1/t25?,26?,27?,28-,29-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36491
(E2-COO-)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1cccc(c1)C([O-])=O |r| Show InChI InChI=1S/C27H28O4/c1-26-12-10-22-21-8-6-20(28)16-18(21)5-7-23(22)24(26)11-14-27(26,31)13-9-17-3-2-4-19(15-17)25(29)30/h2-4,6,8,15-16,22-24,28,31H,5,7,10-12,14H2,1H3,(H,29,30)/p-1/t22?,23?,24?,26-,27-/m0/s1 | PDB
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| PC cid
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Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36493
(E2-NB)Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r| Show InChI InChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM36490
(E2-NH3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1 |r| Show InChI InChI=1S/C27H31NO2/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,29-30H,6,8,11-13,15,17,28H2,1H3/p+1/t23?,24?,25?,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(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 | Reactome pathway
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| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(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 | Reactome pathway
KEGG
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CHEMBL
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PC cid
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| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM50303803
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 | Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36493
(E2-NB)Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r| Show InChI InChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1 | Reactome pathway
KEGG
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36492
(E2-NMe3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(cc1)[N+](C)(C)C |r| Show InChI InChI=1S/C29H35NO2/c1-28-16-14-25-24-12-10-23(31)19-21(24)7-11-26(25)27(28)15-18-29(28,32)17-13-20-5-8-22(9-6-20)30(2,3)4/h5-6,8-10,12,19,25-27,32H,7,11,14-16,18H2,1-4H3/p+1/t25?,26?,27?,28-,29-/m0/s1 | Reactome pathway
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36490
(E2-NH3+)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1 |r| Show InChI InChI=1S/C27H31NO2/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,29-30H,6,8,11-13,15,17,28H2,1H3/p+1/t23?,24?,25?,26-,27-/m0/s1 | Reactome pathway
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| PC cid
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UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM36491
(E2-COO-)Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1cccc(c1)C([O-])=O |r| Show InChI InChI=1S/C27H28O4/c1-26-12-10-22-21-8-6-20(28)16-18(21)5-7-23(22)24(26)11-14-27(26,31)13-9-17-3-2-4-19(15-17)25(29)30/h2-4,6,8,15-16,22-24,28,31H,5,7,10-12,14H2,1H3,(H,29,30)/p-1/t22?,23?,24?,26-,27-/m0/s1 | Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
| Assay Description
Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est... |
ACS Chem Biol 2: 536-44 (2007)
Article DOI: 10.1021/cb700072n
BindingDB Entry DOI: 10.7270/Q2V69GXR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50303803
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 | PDB
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CHEMBL
MCE
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50324674
(1-((3aS,4S,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)Show SMILES CC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM50303803
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 | Reactome pathway
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antibodypedia
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MCE
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
New Mexico State University
Curated by ChEMBL
| Assay Description
Binding affinity to GPR30 |
J Med Chem 53: 1004-14 (2010)
Article DOI: 10.1021/jm9011802
BindingDB Entry DOI: 10.7270/Q2571C3V |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM50303804
((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...)Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22| Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
New Mexico State University
Curated by ChEMBL
| Assay Description
Binding affinity to GPR30 |
J Med Chem 53: 1004-14 (2010)
Article DOI: 10.1021/jm9011802
BindingDB Entry DOI: 10.7270/Q2571C3V |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50441185
(CHEMBL2430897)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)CCCCCCCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:75.89,57.67,8.54,4.4,99.103,wD:89.100,69.73,108.113,122.129,(41.35,-125.97,;41.35,-127.52,;42.68,-128.29,;40.01,-128.29,;40.01,-129.83,;38.68,-130.6,;37.35,-129.83,;37.35,-128.29,;36.01,-130.6,;36.01,-132.14,;37.35,-132.91,;37.35,-134.45,;36.01,-135.22,;36.01,-136.76,;34.68,-137.53,;33.35,-136.76,;34.68,-139.07,;33.35,-139.84,;33.35,-141.38,;32.01,-142.15,;32.01,-143.69,;30.68,-144.46,;30.68,-146,;29.34,-146.77,;29.34,-148.31,;28.01,-149.08,;28.01,-150.62,;26.93,-151.72,;27.34,-153.21,;25.44,-151.34,;24.35,-152.44,;25.86,-152.79,;25.87,-154.33,;24.38,-154.69,;25.71,-155.46,;25.71,-157,;27.05,-157.77,;24.38,-157.77,;24.04,-156.2,;22.49,-156.2,;22.14,-154.67,;21.04,-155.76,;19.55,-155.35,;18.46,-156.44,;19.16,-153.87,;20.62,-154.34,;20.6,-152.8,;22.09,-152.45,;20.98,-151.34,;21.38,-149.85,;20.3,-148.76,;22.87,-149.46,;22.43,-150.95,;23.98,-150.95,;34.68,-129.83,;33.35,-130.61,;33.35,-132.14,;32.01,-129.84,;32.01,-128.29,;33.35,-127.53,;34.68,-128.29,;36.01,-127.52,;36.01,-125.98,;37.34,-125.21,;34.67,-125.21,;33.34,-125.98,;30.67,-130.61,;29.35,-129.84,;29.35,-128.3,;28.01,-130.62,;28.01,-132.15,;29.35,-132.92,;26.68,-129.85,;25.34,-130.61,;25.34,-132.16,;24.01,-129.85,;24.01,-128.31,;25.34,-127.53,;26.75,-128.16,;27.78,-127.01,;27.01,-125.68,;27.48,-124.22,;26.45,-123.07,;24.95,-123.39,;24.47,-124.86,;25.5,-126,;22.67,-130.62,;21.35,-129.85,;21.35,-128.31,;20.01,-130.62,;20.01,-132.16,;21.35,-132.93,;22.75,-132.3,;23.78,-133.44,;23.02,-134.78,;21.51,-134.46,;18.67,-129.85,;17.34,-130.62,;17.34,-132.16,;16.01,-129.85,;15.85,-128.33,;14.35,-128.01,;13.58,-129.34,;12.05,-129.51,;14.61,-130.49,;41.35,-130.6,;41.35,-132.13,;42.69,-129.83,;44.01,-130.59,;44.01,-132.13,;42.69,-132.9,;42.69,-134.44,;41.36,-135.21,;41.35,-136.75,;40.02,-137.52,;42.69,-137.52,;45.35,-129.82,;45.35,-128.28,;46.68,-130.59,;46.99,-132.24,;48.65,-132.47,;49.38,-130.96,;48.1,-130.08,;48.3,-128.55,;47.07,-127.62,;49.71,-127.97,;49.82,-126.42,;51.2,-125.75,;51.31,-124.21,;52.48,-126.6,)| Show InChI InChI=1S/C86H131N23O21/c1-54(2)41-64(79(124)99-63(20-15-31-93-86(88)89)85(130)109-32-16-21-69(109)84(129)95-47-70(87)112)100-77(122)61(19-12-14-30-91-71(113)22-9-7-5-3-4-6-8-13-29-92-73(115)48-105-33-35-106(49-74(116)117)37-39-108(51-76(120)121)40-38-107(36-34-105)50-75(118)119)98-80(125)65(42-55-23-25-58(111)26-24-55)101-83(128)68(52-110)104-81(126)66(43-56-45-94-60-18-11-10-17-59(56)60)102-82(127)67(44-57-46-90-53-96-57)103-78(123)62-27-28-72(114)97-62/h10-11,17-18,23-26,45-46,53-54,61-69,94,110-111H,3-9,12-16,19-22,27-44,47-52H2,1-2H3,(H2,87,112)(H,90,96)(H,91,113)(H,92,115)(H,95,129)(H,97,114)(H,98,125)(H,99,124)(H,100,122)(H,101,128)(H,102,127)(H,103,123)(H,104,126)(H,116,117)(H,118,119)(H,120,121)(H4,88,89,93)/t61-,62+,63+,64+,65+,66+,67+,68+,69+/m1/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[DTrp6]-LH-RH from human GnRH receptor after 3 hrs by gamma counting |
Bioorg Med Chem Lett 23: 5484-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.075
BindingDB Entry DOI: 10.7270/Q2P84DBJ |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50441186
(CHEMBL2430898)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)CCCCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:72.86,54.64,8.51,4.4,96.100,wD:86.97,66.70,105.110,119.126,(38.38,-126.96,;38.38,-128.51,;39.71,-129.28,;37.05,-129.28,;37.05,-130.82,;35.72,-131.59,;34.39,-130.82,;34.39,-129.28,;33.05,-131.59,;33.05,-133.13,;34.38,-133.9,;34.38,-135.44,;33.05,-136.21,;33.05,-137.75,;31.72,-138.52,;30.38,-137.75,;31.72,-140.06,;30.38,-140.83,;30.38,-142.37,;29.04,-143.14,;29.04,-144.68,;27.71,-145.45,;27.71,-146.99,;26.38,-147.76,;25.3,-148.86,;25.71,-150.35,;23.81,-148.48,;22.72,-149.59,;22.35,-148.09,;20.8,-148.09,;20.45,-149.59,;19.35,-148.48,;19.75,-146.99,;18.67,-145.9,;21.24,-146.6,;18.97,-149.95,;18.98,-151.48,;20.51,-151.81,;19.41,-152.9,;17.92,-152.5,;16.82,-153.58,;17.53,-151.01,;20.86,-153.34,;22.41,-153.34,;22.75,-151.84,;24.08,-152.6,;24.08,-154.14,;25.42,-154.91,;22.75,-154.91,;24.24,-151.47,;24.23,-149.93,;31.71,-130.82,;30.38,-131.6,;30.38,-133.13,;29.05,-130.83,;29.05,-129.28,;30.38,-128.52,;31.72,-129.28,;33.05,-128.51,;33.05,-126.97,;34.37,-126.2,;31.71,-126.2,;30.37,-126.97,;27.71,-131.6,;26.38,-130.83,;26.38,-129.29,;25.04,-131.61,;25.04,-133.14,;26.38,-133.91,;23.71,-130.84,;22.38,-131.6,;22.38,-133.15,;21.05,-130.84,;21.05,-129.3,;22.38,-128.52,;23.79,-129.15,;24.82,-128,;24.04,-126.67,;24.51,-125.2,;23.49,-124.06,;21.98,-124.37,;21.5,-125.85,;22.53,-126.99,;19.71,-131.61,;18.38,-130.84,;18.38,-129.3,;17.04,-131.61,;17.04,-133.15,;18.38,-133.92,;19.78,-133.29,;20.82,-134.43,;20.05,-135.77,;18.55,-135.45,;15.71,-130.84,;14.38,-131.61,;14.38,-133.15,;13.04,-130.84,;12.89,-129.32,;11.38,-129,;10.61,-130.33,;9.08,-130.5,;11.64,-131.48,;38.38,-131.59,;38.38,-133.12,;39.72,-130.82,;41.05,-131.58,;41.05,-133.12,;39.72,-133.89,;39.72,-135.43,;38.39,-136.2,;38.39,-137.74,;37.06,-138.51,;39.72,-138.51,;42.39,-130.81,;42.39,-129.27,;43.72,-131.58,;44.02,-133.23,;45.69,-133.46,;46.42,-131.95,;45.13,-131.07,;45.33,-129.54,;44.1,-128.61,;46.75,-128.96,;46.86,-127.41,;48.24,-126.74,;48.34,-125.19,;49.52,-127.59,)| Show InChI InChI=1S/C83H125N23O21/c1-51(2)38-61(76(121)96-60(17-12-28-90-83(85)86)82(127)106-29-13-18-66(106)81(126)92-44-67(84)109)97-74(119)58(16-9-11-27-88-68(110)19-6-4-3-5-10-26-89-70(112)45-102-30-32-103(46-71(113)114)34-36-105(48-73(117)118)37-35-104(33-31-102)47-72(115)116)95-77(122)62(39-52-20-22-55(108)23-21-52)98-80(125)65(49-107)101-78(123)63(40-53-42-91-57-15-8-7-14-56(53)57)99-79(124)64(41-54-43-87-50-93-54)100-75(120)59-24-25-69(111)94-59/h7-8,14-15,20-23,42-43,50-51,58-66,91,107-108H,3-6,9-13,16-19,24-41,44-49H2,1-2H3,(H2,84,109)(H,87,93)(H,88,110)(H,89,112)(H,92,126)(H,94,111)(H,95,122)(H,96,121)(H,97,119)(H,98,125)(H,99,124)(H,100,120)(H,101,123)(H,113,114)(H,115,116)(H,117,118)(H4,85,86,90)/t58-,59+,60+,61+,62+,63+,64+,65+,66+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[DTrp6]-LH-RH from human GnRH receptor after 3 hrs by gamma counting |
Bioorg Med Chem Lett 23: 5484-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.075
BindingDB Entry DOI: 10.7270/Q2P84DBJ |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50441188
(CHEMBL2430900)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:70.84,52.62,8.49,4.4,94.98,wD:84.95,64.68,103.108,117.124,(40.46,-125.72,;40.46,-127.26,;41.79,-128.03,;39.13,-128.03,;39.13,-129.58,;37.8,-130.35,;36.46,-129.57,;36.46,-128.04,;35.12,-130.35,;35.12,-131.89,;36.46,-132.66,;36.46,-134.2,;35.12,-134.97,;35.12,-136.51,;33.8,-137.28,;32.46,-136.51,;33.8,-138.82,;32.46,-139.59,;32.46,-141.13,;31.12,-141.9,;31.12,-143.44,;29.79,-144.21,;28.71,-145.31,;29.12,-146.79,;27.22,-144.92,;26.13,-146.03,;25.76,-144.53,;24.21,-144.54,;23.87,-146.03,;22.76,-144.92,;23.17,-143.44,;22.08,-142.34,;24.65,-143.04,;22.38,-146.39,;22.4,-147.92,;23.92,-148.26,;22.82,-149.35,;21.33,-148.94,;20.24,-150.02,;20.94,-147.45,;24.27,-149.78,;25.82,-149.78,;26.16,-148.28,;27.49,-149.04,;27.49,-150.58,;28.83,-151.35,;26.16,-151.36,;27.65,-147.91,;27.65,-146.37,;33.79,-129.58,;32.46,-130.35,;32.46,-131.89,;31.13,-129.58,;31.13,-128.04,;32.46,-127.27,;33.79,-128.03,;35.13,-127.27,;35.13,-125.73,;36.45,-124.96,;33.79,-124.95,;32.45,-125.73,;29.79,-130.36,;28.46,-129.59,;28.46,-128.04,;27.12,-130.36,;27.12,-131.9,;28.46,-132.67,;25.79,-129.59,;24.46,-130.36,;24.46,-131.9,;23.13,-129.59,;23.13,-128.05,;24.46,-127.28,;25.86,-127.9,;26.89,-126.76,;26.12,-125.43,;26.59,-123.96,;25.56,-122.81,;24.06,-123.13,;23.58,-124.61,;24.61,-125.75,;21.79,-130.36,;20.46,-129.6,;20.46,-128.05,;19.12,-130.37,;19.12,-131.9,;20.46,-132.68,;21.86,-132.05,;22.9,-133.19,;22.13,-134.52,;20.63,-134.21,;17.79,-129.6,;16.46,-130.37,;16.46,-131.91,;15.12,-129.6,;14.97,-128.07,;13.46,-127.75,;12.69,-129.09,;11.16,-129.25,;13.72,-130.23,;40.46,-130.34,;40.46,-131.88,;41.8,-129.57,;43.13,-130.34,;43.13,-131.87,;41.8,-132.64,;41.8,-134.19,;40.47,-134.95,;40.47,-136.49,;39.13,-137.26,;41.8,-137.26,;44.47,-129.57,;44.47,-128.02,;45.8,-130.33,;46.1,-131.99,;47.77,-132.22,;48.5,-130.7,;47.21,-129.83,;47.41,-128.3,;46.18,-127.37,;48.83,-127.71,;48.94,-126.17,;50.32,-125.49,;50.42,-123.96,;51.59,-126.35,)| Show InChI InChI=1S/C81H121N23O21/c1-49(2)36-59(74(119)94-58(15-10-26-88-81(83)84)80(125)104-27-11-16-64(104)79(124)90-42-65(82)107)95-72(117)56(14-7-9-25-86-66(108)17-4-3-8-24-87-68(110)43-100-28-30-101(44-69(111)112)32-34-103(46-71(115)116)35-33-102(31-29-100)45-70(113)114)93-75(120)60(37-50-18-20-53(106)21-19-50)96-78(123)63(47-105)99-76(121)61(38-51-40-89-55-13-6-5-12-54(51)55)97-77(122)62(39-52-41-85-48-91-52)98-73(118)57-22-23-67(109)92-57/h5-6,12-13,18-21,40-41,48-49,56-64,89,105-106H,3-4,7-11,14-17,22-39,42-47H2,1-2H3,(H2,82,107)(H,85,91)(H,86,108)(H,87,110)(H,90,124)(H,92,109)(H,93,120)(H,94,119)(H,95,117)(H,96,123)(H,97,122)(H,98,118)(H,99,121)(H,111,112)(H,113,114)(H,115,116)(H4,83,84,88)/t56-,57+,58+,59+,60+,61+,62+,63+,64+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[DTrp6]-LH-RH from human GnRH receptor after 3 hrs by gamma counting |
Bioorg Med Chem Lett 23: 5484-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.075
BindingDB Entry DOI: 10.7270/Q2P84DBJ |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50441187
(CHEMBL2430899)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)CCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:68.82,50.60,8.47,4.4,92.96,wD:82.93,62.66,101.106,115.122,(41.35,-92.3,;41.35,-93.84,;42.68,-94.61,;40.01,-94.61,;40.01,-96.16,;38.68,-96.93,;37.35,-96.15,;37.35,-94.62,;36.01,-96.93,;36.01,-98.47,;37.35,-99.24,;37.35,-100.78,;36.01,-101.55,;36.01,-103.09,;34.68,-103.86,;33.34,-103.09,;34.68,-105.4,;33.34,-106.17,;33.34,-107.71,;32.01,-108.48,;30.93,-109.58,;31.35,-111.06,;29.44,-109.19,;28.35,-110.3,;27.99,-108.81,;26.43,-108.81,;26.09,-110.3,;24.99,-109.19,;25.39,-107.71,;24.3,-106.61,;26.88,-107.31,;24.61,-110.66,;24.62,-112.19,;26.14,-112.53,;25.04,-113.62,;23.55,-113.21,;22.46,-114.29,;23.17,-111.72,;26.49,-114.05,;28.05,-114.05,;28.38,-112.55,;29.71,-113.31,;29.72,-114.85,;31.05,-115.62,;28.38,-115.63,;29.87,-112.18,;29.87,-110.64,;34.68,-96.16,;33.34,-96.93,;33.34,-98.47,;32.01,-96.16,;32.01,-94.62,;33.34,-93.85,;34.68,-94.61,;36.01,-93.85,;36.01,-92.31,;37.34,-91.54,;34.67,-91.53,;33.34,-92.31,;30.67,-96.94,;29.35,-96.17,;29.35,-94.62,;28.01,-96.94,;28.01,-98.48,;29.35,-99.25,;26.68,-96.17,;25.34,-96.94,;25.34,-98.48,;24.01,-96.17,;24.01,-94.64,;25.34,-93.86,;26.75,-94.48,;27.78,-93.34,;27.01,-92.01,;27.48,-90.55,;26.45,-89.4,;24.95,-89.72,;24.47,-91.19,;25.5,-92.33,;22.67,-96.94,;21.35,-96.18,;21.35,-94.63,;20.01,-96.95,;20.01,-98.48,;21.35,-99.26,;22.75,-98.63,;23.78,-99.77,;23.02,-101.11,;21.51,-100.79,;18.67,-96.18,;17.34,-96.95,;17.34,-98.49,;16.01,-96.18,;15.85,-94.65,;14.35,-94.34,;13.58,-95.67,;12.05,-95.83,;14.61,-96.81,;41.35,-96.92,;41.35,-98.46,;42.69,-96.15,;44.01,-96.92,;44.01,-98.45,;42.69,-99.22,;42.69,-100.77,;41.36,-101.53,;41.35,-103.07,;40.02,-103.84,;42.69,-103.84,;45.35,-96.15,;45.35,-94.6,;46.68,-96.91,;46.99,-98.57,;48.65,-98.8,;49.38,-97.29,;48.09,-96.41,;48.3,-94.88,;47.07,-93.95,;49.71,-94.29,;49.82,-92.75,;51.2,-92.07,;51.3,-90.54,;52.48,-92.93,)| Show InChI InChI=1S/C79H117N23O21/c1-47(2)34-57(72(117)92-56(13-7-24-86-79(81)82)78(123)102-25-9-14-62(102)77(122)88-40-63(80)105)93-70(115)54(12-5-6-22-84-64(106)15-8-23-85-66(108)41-98-26-28-99(42-67(109)110)30-32-101(44-69(113)114)33-31-100(29-27-98)43-68(111)112)91-73(118)58(35-48-16-18-51(104)19-17-48)94-76(121)61(45-103)97-74(119)59(36-49-38-87-53-11-4-3-10-52(49)53)95-75(120)60(37-50-39-83-46-89-50)96-71(116)55-20-21-65(107)90-55/h3-4,10-11,16-19,38-39,46-47,54-62,87,103-104H,5-9,12-15,20-37,40-45H2,1-2H3,(H2,80,105)(H,83,89)(H,84,106)(H,85,108)(H,88,122)(H,90,107)(H,91,118)(H,92,117)(H,93,115)(H,94,121)(H,95,120)(H,96,116)(H,97,119)(H,109,110)(H,111,112)(H,113,114)(H4,81,82,86)/t54-,55+,56+,57+,58+,59+,60+,61+,62+/m1/s1 | PDB
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| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[DTrp6]-LH-RH from human GnRH receptor after 3 hrs by gamma counting |
Bioorg Med Chem Lett 23: 5484-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.075
BindingDB Entry DOI: 10.7270/Q2P84DBJ |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM50303804
((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...)Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22| Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1 | Reactome pathway
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| n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR30 in human SKBr3 cells assessed as inhibition of calcium mobilization |
Nat Chem Biol 5: 421-7 (2009)
Article DOI: 10.1038/nchembio.168
BindingDB Entry DOI: 10.7270/Q2RB74TZ |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(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 | Reactome pathway
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| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair | |
G-protein coupled estrogen receptor 1
(Homo sapiens (Human)) | BDBM50303803
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 | Reactome pathway
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CHEMBL
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PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair | |
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