Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048894 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 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
UniProtKB/SwissProt
antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
BindingDB Entry DOI: 10.7270/Q2V98B9P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50230556
(CHEMBL176509)Show SMILES Oc1ccc(cc1)C1=C(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CC1 |c:8| Show InChI InChI=1S/C30H31NO4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)29(27)30(34)22-6-12-26(13-7-22)35-19-18-31-16-2-1-3-17-31/h4-7,9-13,15,20,32-33H,1-3,8,14,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
BindingDB Entry DOI: 10.7270/Q2V98B9P |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50230557
(CHEBI:90187 | LY-117018)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
BindingDB Entry DOI: 10.7270/Q2V98B9P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50230560
(CHEMBL2112950)Show SMILES Oc1ccc-2c(c1)C(c1c-2ccc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H29NO3/c32-22-7-12-25-21(18-22)6-11-27-26-13-8-23(33)19-28(26)29(30(25)27)20-4-9-24(10-5-20)34-17-16-31-14-2-1-3-15-31/h4-13,18-19,29,32-33H,1-3,14-17H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
BindingDB Entry DOI: 10.7270/Q2V98B9P |
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
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
BindingDB Entry DOI: 10.7270/Q2V98B9P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50230558
(CHEMBL2112949)Show SMILES Oc1ccc2c3C(c4ccccc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H29NO2/c32-23-11-15-25-22(20-23)10-14-28-26-6-2-3-7-27(26)29(30(25)28)21-8-12-24(13-9-21)33-19-18-31-16-4-1-5-17-31/h2-3,6-15,20,29,32H,1,4-5,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
BindingDB Entry DOI: 10.7270/Q2V98B9P |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50230559
(CHEMBL367432)Show SMILES Oc1ccc2C(C(=O)c3ccc(OCCN4CCCCC4)cc3)=C(CCc2c1)c1ccccc1 |c:24| Show InChI InChI=1S/C30H31NO3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)29(28)30(33)23-9-13-26(14-10-23)34-20-19-31-17-5-2-6-18-31/h1,3-4,7-10,12-14,16,21,32H,2,5-6,11,15,17-20H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
BindingDB Entry DOI: 10.7270/Q2V98B9P |
More data for this
Ligand-Target Pair | |
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