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PubMed code 11170650

Compile data set for download or QSAR
Found 4 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))		BDBM50096154
PNG
(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-6b-...)
Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S[C@@H]1CCOC1=O |c:15,t:11|
Show InChI InChI=1S/C26H32F2O6S/c1-22(2)33-20-11-14-15-10-17(27)16-9-13(29)5-7-23(16,3)25(15,28)19(30)12-24(14,4)26(20,34-22)35-18-6-8-32-21(18)31/h5,7,9,14-15,17-20,30H,6,8,10-12H2,1-4H3/t14?,15?,17-,18+,19-,20+,23-,24-,25-,26-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Affinity for human glucocorticoid receptor

J Med Chem 44: 602-12 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86JV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50096153
PNG
(4b,12-Difluoro-5-hydroxy-4a,6a-dimethyl-6b-(2-oxo-...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S[C@@H]1CCOC1=O |t:12|
Show InChI InChI=1S/C27H36F2O6S/c1-4-5-22-34-21-12-15-16-11-18(28)17-10-14(30)6-8-24(17,2)26(16,29)20(31)13-25(15,3)27(21,35-22)36-19-7-9-33-23(19)32/h10,15-16,18-22,31H,4-9,11-13H2,1-3H3/t15?,16?,18-,19+,20-,21+,22+,24-,25-,26-,27-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/a 6.40n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Affinity for human glucocorticoid receptor

J Med Chem 44: 602-12 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86JV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50096155
PNG
(2-(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-...)
Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC(CCO)C(O)=O |c:15,t:11|
Show InChI InChI=1S/C26H34F2O7S/c1-22(2)34-20-11-14-15-10-17(27)16-9-13(30)5-7-23(16,3)25(15,28)19(31)12-24(14,4)26(20,35-22)36-18(6-8-29)21(32)33/h5,7,9,14-15,17-20,29,31H,6,8,10-12H2,1-4H3,(H,32,33)/t14?,15?,17-,18?,19-,20+,23-,24-,25-,26-/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
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PubMed
n/an/a 289n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Affinity for human glucocorticoid receptor

J Med Chem 44: 602-12 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86JV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50096156
PNG
(2-(4b,12-Difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-8...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC(CCO)C(O)=O |t:12|
Show InChI InChI=1S/C27H38F2O7S/c1-4-5-22-35-21-12-15-16-11-18(28)17-10-14(31)6-8-24(17,2)26(16,29)20(32)13-25(15,3)27(21,36-22)37-19(7-9-30)23(33)34/h10,15-16,18-22,30,32H,4-9,11-13H2,1-3H3,(H,33,34)/t15?,16?,18-,19?,20-,21+,22+,24-,25-,26-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Affinity for human glucocorticoid receptor

J Med Chem 44: 602-12 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86JV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%