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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'james' and Initial = 'da'   
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 beta


(Homo sapiens (Human))
BDBM50217045
PNG
(CHEMBL2068062)
Show SMILES [H][C@@]12CCC(O)[C@@]1(C)CC(CCOC(=O)CCCNC(=O)c1ccc(cc1)-c1c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc1[nH]3)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C69H63N5O5/c1-69-41-48(63-50-26-24-49(75)40-47(50)23-25-51(63)52(69)27-36-61(69)76)37-39-79-62(77)18-11-38-70-68(78)46-21-19-45(20-22-46)67-59-34-32-57(73-59)65(43-14-7-3-8-15-43)55-30-28-53(71-55)64(42-12-5-2-6-13-42)54-29-31-56(72-54)66(44-16-9-4-10-17-44)58-33-35-60(67)74-58/h2-10,12-17,19-22,24,26,28-35,40,48,51-52,61,63,73-76H,11,18,23,25,27,36-39,41H2,1H3,(H,70,78)/b64-53-,64-54-,65-55-,65-57-,66-56-,66-58-,67-59-,67-60-/t48?,51-,52-,61?,63+,69-/m0/s1
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PC cid
PC sid
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PubMed
n/an/an/an/a 274n/an/an/an/a



Boston University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor-ligand binding domain


Bioorg Med Chem Lett 9: 2379-84 (1999)


BindingDB Entry DOI: 10.7270/Q2CC12V7
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM17292
PNG
((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
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antibodypedia
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CHEMBL
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MCE
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MMDB
PC cid
PC sid
PDB
UniChem

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PDB
PubMed
n/an/an/an/a 1n/an/an/an/a



Boston University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor-ligand binding domain


Bioorg Med Chem Lett 9: 2379-84 (1999)


BindingDB Entry DOI: 10.7270/Q2CC12V7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)