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PubMed code 15857126

Compile data set for download or QSAR
Found 3 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
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50166034
PNG
(1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-etha...)
Show SMILES Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
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MMDB

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Article
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DHT binding to human sex hormone-binding globulin (SHBG)


J Med Chem 48: 3203-13 (2005)


Article DOI: 10.1021/jm049087f
BindingDB Entry DOI: 10.7270/Q2J67GFX
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50166033
PNG
(4-((1S,2S,5S,6S,9R)-5-Hydroxymethyl-6,8,9-trimethy...)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@@H]1[C@H]2C |t:18,THB:19:18:21:9.10.11,16:15:21:9.10.11|
Show InChI InChI=1S/C19H26O4/c1-11-7-12(2)19(9-20)10-23-18(17(11)13(19)3)14-5-6-15(21)16(8-14)22-4/h5-8,12-13,17-18,20-21H,9-10H2,1-4H3/t12-,13+,17+,18+,19-/m0/s1
PDB
MMDB

NCI pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DHT binding to human sex hormone-binding globulin (SHBG)


J Med Chem 48: 3203-13 (2005)


Article DOI: 10.1021/jm049087f
BindingDB Entry DOI: 10.7270/Q2J67GFX
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50166035
PNG
(4-((1R,2R,5R,6R,9R)-5-Hydroxymethyl-6,8,9-trimethy...)
Show SMILES C[C@@H]1C=C(C)[C@H]2[C@@H](C)[C@]1(CO)CO[C@H]2c1ccc(O)cc1 |t:2,TLB:0:1:6:12.13.11,4:3:6:12.13.11|
Show InChI InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13-,16+,17+,18-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DHT binding to human sex hormone-binding globulin (SHBG)


J Med Chem 48: 3203-13 (2005)


Article DOI: 10.1021/jm049087f
BindingDB Entry DOI: 10.7270/Q2J67GFX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%