Found 32 hits with Last Name = 'lovely' and Initial = 'cj' 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 |
|---|
Aromatase
(Homo sapiens (Human)) | BDBM50285628
((7R,10R,13S)-7-(4-Amino-phenylsulfanyl)-10,13-dime...)Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)C=C[C@]31C)Sc1ccc(N)cc1 |c:19,t:15| Show InChI InChI=1S/C25H29NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,9,11,13,19-21,23H,7-8,10,12,14,26H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of aromatase cytochrome P450 19A1 |
Bioorg Med Chem Lett 5: 2513-2516 (1995)
Article DOI: 10.1016/0960-894X(95)00440-5
BindingDB Entry DOI: 10.7270/Q28915TD |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50285627
((7R,10R,13S)-7-Benzyl-10,13-dimethyl-1,6,7,8,9,10,...)Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@H](Cc1ccccc1)CC1=CC(=O)CC[C@]31C |t:23| Show InChI InChI=1S/C26H32O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,16,18,21-22,24H,8-15H2,1-2H3/t18-,21?,22?,24?,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 13.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of aromatase cytochrome P450 19A1 |
Bioorg Med Chem Lett 5: 2513-2516 (1995)
Article DOI: 10.1016/0960-894X(95)00440-5
BindingDB Entry DOI: 10.7270/Q28915TD |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50285626
((7R,10R,13S)-10,13-Dimethyl-7-phenethyl-1,6,7,8,9,...)Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@H](CCc1ccccc1)CC1=CC(=O)CC[C@]31C |t:24| Show InChI InChI=1S/C27H34O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,17,19,22-23,25H,8-16H2,1-2H3/t19-,22?,23?,25?,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 16.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of aromatase cytochrome P450 19A1 |
Bioorg Med Chem Lett 5: 2513-2516 (1995)
Article DOI: 10.1016/0960-894X(95)00440-5
BindingDB Entry DOI: 10.7270/Q28915TD |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50285629
((7R,10R,13S)-7-(4-Amino-phenylsulfanyl)-10,13-dime...)Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(N)cc1 |t:15| Show InChI InChI=1S/C25H31NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14,26H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of aromatase cytochrome P450 19A1 |
Bioorg Med Chem Lett 5: 2513-2516 (1995)
Article DOI: 10.1016/0960-894X(95)00440-5
BindingDB Entry DOI: 10.7270/Q28915TD |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50525783
(CHEMBL4542058)Show SMILES CCOc1cc(\C=C2/S\C(=N\c3ccc(Cl)c(c3)C(O)=O)N(C)C2=O)cc(Cl)c1O Show InChI InChI=1S/C20H16Cl2N2O5S/c1-3-29-15-7-10(6-14(22)17(15)25)8-16-18(26)24(2)20(30-16)23-11-4-5-13(21)12(9-11)19(27)28/h4-9,25H,3H2,1-2H3,(H,27,28)/b16-8-,23-20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas-Arlington
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPARgamma LBD expressed in yeast AH109 cells assessed as reduction in rosiglitazone-stimulated PPARgamma/CBP interaction... |
Bioorg Med Chem 27: (2019)
Article DOI: 10.1016/j.bmc.2019.115047
BindingDB Entry DOI: 10.7270/Q2Q52T2F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM34649
((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 506 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor of human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471442
(CHEMBL1627932)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCCO)c3CC[C@@]21[H] Show InChI InChI=1S/C21H30O3/c1-21-11-10-15-13-6-8-19(23)17(3-2-12-22)14(13)4-5-16(15)18(21)7-9-20(21)24/h6,8,15-16,18,20,22-24H,2-5,7,9-12H2,1H3/t15-,16-,18+,20+,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 Gene expression in human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471440
(CHEMBL1627574)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CO)c3CC[C@@]21[H] Show InChI InChI=1S/C19H26O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,13-14,16,18,20-22H,2-3,5,7-10H2,1H3/t13-,14-,16+,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 Gene expression in human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471439
(CHEMBL1627561)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCO)c3CC[C@@]21[H] Show InChI InChI=1S/C20H28O3/c1-20-10-8-14-12-4-6-18(22)16(9-11-21)13(12)2-3-15(14)17(20)5-7-19(20)23/h4,6,14-15,17,19,21-23H,2-3,5,7-11H2,1H3/t14-,15-,17+,19+,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 Gene expression in human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
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
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.0301 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 Gene expression in human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471442
(CHEMBL1627932)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCCO)c3CC[C@@]21[H] Show InChI InChI=1S/C21H30O3/c1-21-11-10-15-13-6-8-19(23)17(3-2-12-22)14(13)4-5-16(15)18(21)7-9-20(21)24/h6,8,15-16,18,20,22-24H,2-5,7,9-12H2,1H3/t15-,16-,18+,20+,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.32E+3 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor of human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471080
(CHEMBL1627431)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C19H26O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-9,13-14,16,18,20-22H,2-7,10H2,1H3/t13-,14+,16-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 342 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity estrogen receptor of MCF-7 human mammary cancer cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50262140
((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 504 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471080
(CHEMBL1627431)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C19H26O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-9,13-14,16,18,20-22H,2-7,10H2,1H3/t13-,14+,16-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471081
(CHEMBL1627420)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CCCO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C21H30O3/c1-21-9-8-15-16(18(21)6-7-20(21)24)5-4-13-12-19(23)14(3-2-10-22)11-17(13)15/h11-12,15-16,18,20,22-24H,2-10H2,1H3/t15-,16+,18-,20-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 495 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471080
(CHEMBL1627431)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C19H26O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-9,13-14,16,18,20-22H,2-7,10H2,1H3/t13-,14+,16-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471081
(CHEMBL1627420)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CCCO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C21H30O3/c1-21-9-8-15-16(18(21)6-7-20(21)24)5-4-13-12-19(23)14(3-2-10-22)11-17(13)15/h11-12,15-16,18,20,22-24H,2-10H2,1H3/t15-,16+,18-,20-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.22E+3 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity estrogen receptor of MCF-7 human mammary cancer cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471080
(CHEMBL1627431)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C19H26O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-9,13-14,16,18,20-22H,2-7,10H2,1H3/t13-,14+,16-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 146 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
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
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.292 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50262140
((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity estrogen receptor of MCF-7 human mammary cancer cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471081
(CHEMBL1627420)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CCCO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C21H30O3/c1-21-9-8-15-16(18(21)6-7-20(21)24)5-4-13-12-19(23)14(3-2-10-22)11-17(13)15/h11-12,15-16,18,20,22-24H,2-10H2,1H3/t15-,16+,18-,20-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.00400 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
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 | n/a | n/a | 0.996 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471082
(CHEMBL1627841)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(C=O)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C19H24O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-10,13-14,16,18,21-22H,2-7H2,1H3/t13-,14+,16-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 782 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity estrogen receptor of MCF-7 human mammary cancer cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471079
(CHEMBL1628150)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CCO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C20H28O3/c1-20-8-6-14-15(17(20)4-5-19(20)23)3-2-12-11-18(22)13(7-9-21)10-16(12)14/h10-11,14-15,17,19,21-23H,2-9H2,1H3/t14-,15+,17-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 272 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
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 | n/a | n/a | 0.0996 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity estrogen receptor of MCF-7 human mammary cancer cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor of human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM34649
((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Induction of pS2 Gene expression in human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471441
(CHEMBL1627560)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCN)c3CC[C@@]21[H] Show InChI InChI=1S/C20H29NO2/c1-20-10-8-14-12-4-6-18(22)16(9-11-21)13(12)2-3-15(14)17(20)5-7-19(20)23/h4,6,14-15,17,19,22-23H,2-3,5,7-11,21H2,1H3/t14-,15-,17+,19+,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor of human MCF-7 cells at 10e-5 M |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471440
(CHEMBL1627574)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CO)c3CC[C@@]21[H] Show InChI InChI=1S/C19H26O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,13-14,16,18,20-22H,2-3,5,7-10H2,1H3/t13-,14-,16+,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 364 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor of human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471439
(CHEMBL1627561)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCO)c3CC[C@@]21[H] Show InChI InChI=1S/C20H28O3/c1-20-10-8-14-12-4-6-18(22)16(9-11-21)13(12)2-3-15(14)17(20)5-7-19(20)23/h4,6,14-15,17,19,21-23H,2-3,5,7-11H2,1H3/t14-,15-,17+,19+,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity for estrogen receptor of human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471079
(CHEMBL1628150)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CCO)c(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C20H28O3/c1-20-8-6-14-15(17(20)4-5-19(20)23)3-2-12-11-18(22)13(7-9-21)10-16(12)14/h10-11,14-15,17,19,21-23H,2-9H2,1H3/t14-,15+,17-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.89E+3 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description
Affinity estrogen receptor of MCF-7 human mammary cancer cells |
J Med Chem 39: 1917-23 (1996)
Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this
Ligand-Target Pair | |
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