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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Corticosteroid-binding globulin' and Ligand = 'BDBM8903'   
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
Corticosteroid-binding globulin


(Homo sapiens)
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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MCE
KEGG
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PC cid
PC sid
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Article
PubMed
42n/an/an/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human CBG receptor (corticosteroid-binding globulins)


J Med Chem 47: 2732-42 (2004)


Article DOI: 10.1021/jm030364c
BindingDB Entry DOI: 10.7270/Q2WM1H5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Corticosteroid-binding globulin


(Homo sapiens)
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to the corticosteroid-binding globulin (CBG) receptor.


J Med Chem 43: 3233-43 (2000)


Article DOI: 10.1021/jm000941m
BindingDB Entry DOI: 10.7270/Q2QJ7M2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)