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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(HUMAN)
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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Article
PubMed
0.238n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




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Ligand-Target Pair
Glucocorticoid


(HUMAN)
BDBM86696
PNG
(des-CIC | desisobutyryl-ciclesonide)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)C1CCCCC1
Show InChI InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1
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Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




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


(HUMAN)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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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PubMed
6.70n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




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


(HUMAN)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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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PubMed
6.80n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




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Ligand-Target Pair
Glucocorticoid


(HUMAN)
BDBM86680
PNG
(CAS_4042 | Mpa | NSC_4042)
Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
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Article
PubMed
43n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




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


(HUMAN)
BDBM86678
PNG
(CP8816)
Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C
Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1
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Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




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


(HUMAN)
BDBM86679
PNG
(CP8863)
Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O
Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair