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PubMed code 26936592

Compile data set for download or QSAR
Found 8 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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50535797
PNG
(CHEMBL4532570)
Show SMILES [H][C@]1(OC1(C)C)[C@H](O)C[C@H](C)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:18|
Show InChI InChI=1S/C30H48O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31H,10-17H2,1-8H3/t18-,19+,20-,22+,23-,25-,28+,29+,30-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM57506
PNG
((5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-1...)
Show SMILES C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |t:16|
Show InChI InChI=1S/C30H50O4/c1-18(17-22(31)25(33)27(4,5)34)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31,33-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,28+,29-,30+/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50535798
PNG
(CHEMBL4551399)
Show SMILES [H][C@]1(O[C@]1([H])C(O)C(C)(C)O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |r,t:20|
Show InChI InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19+,21+,22-,23+,24+,25?,28-,29+,30-/m1/s1
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PC cid
PC sid
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50535798
PNG
(CHEMBL4551399)
Show SMILES [H][C@]1(O[C@]1([H])C(O)C(C)(C)O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |r,t:20|
Show InChI InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19+,21+,22-,23+,24+,25?,28-,29+,30-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50535799
PNG
(CHEMBL4529492)
Show SMILES [H][C@]1(OC1(C)C)[C@H](O)C[C@H](C)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:18|
Show InChI InChI=1S/C30H50O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-25,31-32H,10-17H2,1-8H3/t18-,19+,20-,22+,23-,24-,25-,28+,29+,30-/m0/s1
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PC cid
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n/an/a 3.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50535796
PNG
(CHEMBL4575439)
Show SMILES [H][C@@]12C[C@@H](c3ccoc3)[C@]3(C)C[C@H](OC(C)=O)[C@]4([H])[C@@]5(C)C=CC(=O)C(C)(C)C5=C(O)C(=O)[C@@]4(C)[C@@]13O2 |r,c:22,t:30|
Show InChI InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21,31H,11-12H2,1-6H3/t16-,17-,19+,21+,25+,26-,27-,28+/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%