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PubMed code 21839641

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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
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Similars

Article
PubMed
n/an/a 0.570n/an/an/an/an/an/a



University of North Carolina Wilmington

Curated by ChEMBL


Assay Description
Binding affinity to estrogen receptor-alpha after 2 hrs by TR-FRET assay


Bioorg Med Chem 19: 5093-102 (2011)


Article DOI: 10.1016/j.bmc.2011.07.026
BindingDB Entry DOI: 10.7270/Q23R0T8N
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50351197
PNG
(CHEMBL1818254)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)CCS(C)(=O)=O)cn2C)cc1C(=O)NCCCC(=O)NCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C44H62N6O8S/c1-44-18-16-34-33-13-12-32(51)23-29(33)22-28(41(34)35(44)14-15-38(44)52)10-7-5-6-8-19-45-39(53)11-9-20-46-42(55)36-25-31(27-49(36)2)48-43(56)37-24-30(26-50(37)3)47-40(54)17-21-59(4,57)58/h12-13,23-28,34-35,38,41,51-52H,5-11,14-22H2,1-4H3,(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t28-,34-,35+,38+,41-,44+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11n/an/an/an/an/an/a



University of North Carolina Wilmington

Curated by ChEMBL


Assay Description
Binding affinity to estrogen receptor-alpha after 2 hrs by TR-FRET assay


Bioorg Med Chem 19: 5093-102 (2011)


Article DOI: 10.1016/j.bmc.2011.07.026
BindingDB Entry DOI: 10.7270/Q23R0T8N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%