Found 33 hits of Enzyme Inhibition Constant Data 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
(RAT) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123209
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | BDBM50123205
(2-(4-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccccc2C1 |t:8| Show InChI InChI=1S/C23H18O2/c24-19-7-5-15(6-8-19)22-12-18-11-20(25)9-10-21(18)23(22)13-16-3-1-2-4-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | BDBM50123208
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12 |c:1| Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123209
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123209
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123205
(2-(4-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccccc2C1 |t:8| Show InChI InChI=1S/C23H18O2/c24-19-7-5-15(6-8-19)22-12-18-11-20(25)9-10-21(18)23(22)13-16-3-1-2-4-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123208
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12 |c:1| Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | BDBM50123209
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123205
(2-(4-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccccc2C1 |t:8| Show InChI InChI=1S/C23H18O2/c24-19-7-5-15(6-8-19)22-12-18-11-20(25)9-10-21(18)23(22)13-16-3-1-2-4-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123208
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12 |c:1| Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123207
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | BDBM50123207
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123207
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123208
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12 |c:1| Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123211
(2-phenyl-1,2'-spirobi[1H-indene]-5-ol | CHEMBL1448...)Show SMILES Oc1ccc2c(C=C(c3ccccc3)C22Cc3ccccc3C2)c1 |t:6| Show InChI InChI=1S/C23H18O/c24-20-10-11-21-19(12-20)13-22(16-6-2-1-3-7-16)23(21)14-17-8-4-5-9-18(17)15-23/h1-13,24H,14-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123206
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1 |t:6| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123211
(2-phenyl-1,2'-spirobi[1H-indene]-5-ol | CHEMBL1448...)Show SMILES Oc1ccc2c(C=C(c3ccccc3)C22Cc3ccccc3C2)c1 |t:6| Show InChI InChI=1S/C23H18O/c24-20-10-11-21-19(12-20)13-22(16-6-2-1-3-7-16)23(21)14-17-8-4-5-9-18(17)15-23/h1-13,24H,14-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123206
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1 |t:6| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | BDBM50123206
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1 |t:6| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123207
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123206
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1 |t:6| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123212
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1 |c:12| Show InChI InChI=1S/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123212
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1 |c:12| Show InChI InChI=1S/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123212
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1 |c:12| Show InChI InChI=1S/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 429 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | BDBM50123212
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1 |c:12| Show InChI InChI=1S/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50123210
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1 |c:11| Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123210
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1 |c:11| Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Rattus norvegicus) | BDBM50123210
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1 |c:11| Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity foor Rat Estrogen receptor-beta |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50123210
(2-phenyl-1,2'-spirobi[1H-indene] | CHEMBL345000)Show SMILES C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1 |c:11| Show InChI InChI=1S/C23H18/c1-2-8-17(9-3-1)22-14-18-10-6-7-13-21(18)23(22)15-19-11-4-5-12-20(19)16-23/h1-14H,15-16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Human Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
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