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Compile Data Set for Download or QSAR

Found 3 hits of kd for drug = Brevicon 28-day   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50148732
PNG
(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8|
Show InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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MCE
KEGG
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PC cid
PC sid
PDB
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Patents


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DrugBank
PDB
Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



GlaxoSmithKline Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for progesterone receptor


J Med Chem 47: 3381-7 (2004)


Article DOI: 10.1021/jm030640n
BindingDB Entry DOI: 10.7270/Q2KP81NR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(RAT-Rattus norvegicus)
BDBM50148732
PNG
(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8|
Show InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
PDB

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/a 0.630n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol


J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50148732
PNG
(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8|
Show InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/an/a 11n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair