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PubMed code 1875343

Compile data set for download or QSAR
Found 7 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


(RAT)
BDBM39347
PNG
(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
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PubMed
n/an/a 3n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50009401
PNG
(CHEMBL315931 | Succinic acid 17-(2-chloro-acetyl)-...)
Show SMILES COC(=O)CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC12C)C(=O)CCl
Show InChI InChI=1S/C27H34ClFO7/c1-15-11-19-18-6-5-16-12-17(30)9-10-24(16,2)26(18,29)20(31)13-25(19,3)27(15,21(32)14-28)36-23(34)8-7-22(33)35-4/h9-10,12,15,18-20,31H,5-8,11,13-14H2,1-4H3/t15-,18?,19?,20-,24?,25?,26-,27-/m0/s1
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PubMed
n/an/a 5.20n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50421892
PNG
(Alphatrex | BETAMETHASONE DIPROPIONATE | Diprolene...)
Show SMILES CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Show InChI InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
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PubMed
n/an/a 5.30n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50009403
PNG
(CHEMBL81387 | Pentanedioic acid 17-(2-chloro-acety...)
Show SMILES CCOC(=O)CCCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC12C)C(=O)CCl
Show InChI InChI=1S/C29H38ClFO7/c1-5-37-24(35)7-6-8-25(36)38-29(23(34)16-30)17(2)13-21-20-10-9-18-14-19(32)11-12-26(18,3)28(20,31)22(33)15-27(21,29)4/h11-12,14,17,20-22,33H,5-10,13,15-16H2,1-4H3/t17-,20?,21?,22-,26?,27?,28-,29-/m0/s1
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PubMed
n/an/a 9.70n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50009402
PNG
(CHEMBL83845 | Succinic acid tert-butyl ester 17-(2...)
Show SMILES C[C@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(OC(=O)CCC(=O)OC(C)(C)C)C(=O)CCl
Show InChI InChI=1S/C30H40ClFO7/c1-17-13-21-20-8-7-18-14-19(33)11-12-27(18,5)29(20,32)22(34)15-28(21,6)30(17,23(35)16-31)39-25(37)10-9-24(36)38-26(2,3)4/h11-12,14,17,20-22,34H,7-10,13,15-16H2,1-6H3/t17-,20?,21?,22-,27?,28?,29-,30-/m0/s1
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PubMed
n/an/a 11n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50009406
PNG
(CHEMBL311802 | Succinic acid 17-(2-chloro-acetyl)-...)
Show SMILES CC(C)OC(=O)CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC12C)C(=O)CCl
Show InChI InChI=1S/C29H38ClFO7/c1-16(2)37-24(35)8-9-25(36)38-29(23(34)15-30)17(3)12-21-20-7-6-18-13-19(32)10-11-26(18,4)28(20,31)22(33)14-27(21,29)5/h10-11,13,16-17,20-22,33H,6-9,12,14-15H2,1-5H3/t17-,20?,21?,22-,26?,27?,28-,29-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50009405
PNG
(CHEMBL311457 | Succinic acid mono-[17-(2-chloro-ac...)
Show SMILES C[C@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(OC(=O)CCC(O)=O)C(=O)CCl
Show InChI InChI=1S/C26H32ClFO7/c1-14-10-18-17-5-4-15-11-16(29)8-9-23(15,2)25(17,28)19(30)12-24(18,3)26(14,20(31)13-27)35-22(34)7-6-21(32)33/h8-9,11,14,17-19,30H,4-7,10,12-13H2,1-3H3,(H,32,33)/t14-,17?,18?,19-,23?,24?,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>150n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%