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PubMed code 16643060

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
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50269240
PNG
(CHEMBL524715 | sundaicumone B)
Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]-1=[#6]2-[#8]-[#6@@H](-[#6][C@@]22[#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])C([#6])([#6])[C@@]([#6](=O)-[#6](-[#6])-[#6]-[#6])([#6]-1=O)[#6]2=O)C([#6])([#6])[#8] |r,c:8,THB:34:33:14.15.21:31.8.9|
Show InChI InChI=1S/C32H48O7/c1-10-12-20(15-23(33)34)24-26(36)32(25(35)19(5)11-2)28(37)31(17-22(30(8,9)38)39-27(24)31)16-21(29(32,6)7)14-13-18(3)4/h13,19-22,38H,10-12,14-17H2,1-9H3,(H,33,34)/t19?,20?,21-,22-,31-,32-/m0/s1
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PC cid
PC sid
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Article
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n/an/an/an/a 7.50E+4n/an/an/an/a



MerLion Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor in human A549 cells assessed as effect on GRE promoter response by luciferase reporter assay

J Nat Prod 69: 707-9 (2006)


Article DOI: 10.1021/np050528n
BindingDB Entry DOI: 10.7270/Q2QJ7J6M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



MerLion Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor in human A549 cells assessed as effect on GRE promoter response by luciferase reporter assay

J Nat Prod 69: 707-9 (2006)


Article DOI: 10.1021/np050528n
BindingDB Entry DOI: 10.7270/Q2QJ7J6M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50269239
PNG
(CHEMBL501713 | sundaicumone A)
Show SMILES CCCC(CC(O)=O)C1=C2O[C@@H](C[C@@]22C[C@H](CC(O)C(C)(C)O)C(C)(C)[C@@](C(=O)C(C)CC)(C1=O)C2=O)C(C)(C)O |r,c:8,THB:36:35:33.8.9:14.23.15|
Show InChI InChI=1S/C32H50O9/c1-10-12-18(13-22(34)35)23-25(37)32(24(36)17(3)11-2)27(38)31(16-21(30(8,9)40)41-26(23)31)15-19(28(32,4)5)14-20(33)29(6,7)39/h17-21,33,39-40H,10-16H2,1-9H3,(H,34,35)/t17?,18?,19-,20?,21-,31-,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
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PubMed
n/an/an/an/a 1.73E+5n/an/an/an/a



MerLion Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor in human A549 cells assessed as effect on GRE promoter response by luciferase reporter assay

J Nat Prod 69: 707-9 (2006)


Article DOI: 10.1021/np050528n
BindingDB Entry DOI: 10.7270/Q2QJ7J6M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%