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PubMed code 21334894

Compile Data Set for Download or QSAR

Found 218 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


(Mus musculus (mouse))		BDBM50340800
PNG
(3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES COc1cc(ccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C25H23ClN4O/c1-30-23(21-11-6-17(15-22(21)31-2)18-5-3-14-27-16-18)28-29-24(30)25(12-4-13-25)19-7-9-20(26)10-8-19/h3,5-11,14-16H,4,12-13H2,1-2H3
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n/an/a 0.75n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340811
PNG
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C20H19ClN4O/c1-25-18(14-5-3-13(4-6-14)17(22)26)23-24-19(25)20(11-2-12-20)15-7-9-16(21)10-8-15/h3-10H,2,11-12H2,1H3,(H2,22,26)
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n/an/a 1n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340803
PNG
(2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1OC(F)F)-c1cnccn1
Show InChI InChI=1S/C24H20ClF2N5O/c1-32-21(30-31-22(32)24(9-2-10-24)16-4-6-17(25)7-5-16)18-8-3-15(13-20(18)33-23(26)27)19-14-28-11-12-29-19/h3-8,11-14,23H,2,9-10H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340801
PNG
(2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1O)-c1cccnc1
Show InChI InChI=1S/C24H21ClN4O/c1-29-22(20-10-5-16(14-21(20)30)17-4-2-13-26-15-17)27-28-23(29)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15,30H,3,11-12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340830
PNG
(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-met...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)C(N)=O
Show InChI InChI=1S/C20H18Cl2N4O/c1-26-18(15-8-3-12(17(23)27)11-16(15)22)24-25-19(26)20(9-2-10-20)13-4-6-14(21)7-5-13/h3-8,11H,2,9-10H2,1H3,(H2,23,27)
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n/an/a 1n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340794
PNG
(CHEMBL1760685 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H21ClN4OS/c1-29-21(16-5-11-19(12-6-16)26-22(30)20-4-2-15-31-20)27-28-23(29)24(13-3-14-24)17-7-9-18(25)10-8-17/h2,4-12,15H,3,13-14H2,1H3,(H,26,30)
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n/an/a 1n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340819
PNG
(6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(N)nn1
Show InChI InChI=1S/C23H21ClN6/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3,(H2,25,27)
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n/an/a 1.10n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340820
PNG
(4-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnoc1
Show InChI InChI=1S/C22H19ClN4O/c1-27-20(16-5-3-15(4-6-16)17-13-24-28-14-17)25-26-21(27)22(11-2-12-22)18-7-9-19(23)10-8-18/h3-10,13-14H,2,11-12H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340814
PNG
(5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnc(=O)[nH]c1
Show InChI InChI=1S/C23H20ClN5O/c1-29-20(16-5-3-15(4-6-16)17-13-25-22(30)26-14-17)27-28-21(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-14H,2,11-12H2,1H3,(H,25,26,30)
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n/an/a 1.20n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50239407
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5,6,7,8,9,10-hexa...)
Show SMILES Clc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22ClN3/c19-15-9-7-14(8-10-15)18(11-5-12-18)17-21-20-16-6-3-1-2-4-13-22(16)17/h7-10H,1-6,11-13H2
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n/an/a 1.30n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340818
PNG
(3-chloro-6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(Cl)nn1
Show InChI InChI=1S/C23H19Cl2N5/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340800
PNG
(3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES COc1cc(ccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C25H23ClN4O/c1-30-23(21-11-6-17(15-22(21)31-2)18-5-3-14-27-16-18)28-29-24(30)25(12-4-13-25)19-7-9-20(26)10-8-19/h3,5-11,14-16H,4,12-13H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340812
PNG
(5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1
Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340818
PNG
(3-chloro-6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(Cl)nn1
Show InChI InChI=1S/C23H19Cl2N5/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340799
PNG
(3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C24H20ClFN4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340802
PNG
(2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cnccn1
Show InChI InChI=1S/C23H19ClFN5/c1-30-21(18-8-3-15(13-19(18)25)20-14-26-11-12-27-20)28-29-22(30)23(9-2-10-23)16-4-6-17(24)7-5-16/h3-8,11-14H,2,9-10H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50260623
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-phenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H18ClN3/c1-23-17(14-6-3-2-4-7-14)21-22-18(23)19(12-5-13-19)15-8-10-16(20)11-9-15/h2-4,6-11H,5,12-13H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340799
PNG
(3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C24H20ClFN4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340808
PNG
(CHEMBL1760690 | N-(3-chloro-4-(5-(1-(4-chloropheny...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cnccn2)cc1Cl
Show InChI InChI=1S/C24H20Cl2N6O/c1-32-21(30-31-23(32)24(9-2-10-24)15-3-5-16(25)6-4-15)18-8-7-17(13-19(18)26)29-22(33)20-14-27-11-12-28-20/h3-8,11-14H,2,9-10H2,1H3,(H,29,33)
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n/an/a 1.90n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340815
PNG
(5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES COc1ncc(-c2ccc(cc2)-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(OC)n1
Show InChI InChI=1S/C25H24ClN5O2/c1-31-21(29-30-23(31)25(13-4-14-25)18-9-11-19(26)12-10-18)17-7-5-16(6-8-17)20-15-27-24(33-3)28-22(20)32-2/h5-12,15H,4,13-14H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340813
PNG
(5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H21ClN6/c1-30-20(16-5-3-15(4-6-16)17-13-26-22(25)27-14-17)28-29-21(30)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-14H,2,11-12H2,1H3,(H2,25,26,27)
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n/an/a 2.20n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340813
PNG
(5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H21ClN6/c1-30-20(16-5-3-15(4-6-16)17-13-26-22(25)27-14-17)28-29-21(30)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-14H,2,11-12H2,1H3,(H2,25,26,27)
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n/an/a 2.20n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340805
PNG
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1C(N)=O)C(N)=O
Show InChI InChI=1S/C21H20ClN5O2/c1-27-19(15-8-3-12(17(23)28)11-16(15)18(24)29)25-26-20(27)21(9-2-10-21)13-4-6-14(22)7-5-13/h3-8,11H,2,9-10H2,1H3,(H2,23,28)(H2,24,29)
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n/an/a 2.20n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340831
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)-3-fluorocyclo...)
Show SMILES Cn1c(nnc1C1(CC(F)C1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cnccn1
Show InChI InChI=1S/C23H18Cl2FN5/c1-31-21(18-7-2-14(10-19(18)25)20-13-27-8-9-28-20)29-30-22(31)23(11-17(26)12-23)15-3-5-16(24)6-4-15/h2-10,13,17H,11-12H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340816
PNG
(2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnccn1
Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)20-15-25-13-14-26-20)27-28-22(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-15H,2,11-12H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340812
PNG
(5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1
Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340808
PNG
(CHEMBL1760690 | N-(3-chloro-4-(5-(1-(4-chloropheny...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cnccn2)cc1Cl
Show InChI InChI=1S/C24H20Cl2N6O/c1-32-21(30-31-23(32)24(9-2-10-24)15-3-5-16(25)6-4-15)18-8-7-17(13-19(18)26)29-22(33)20-14-27-11-12-28-20/h3-8,11-14H,2,9-10H2,1H3,(H,29,33)
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n/an/a 2.60n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340817
PNG
(6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cc(=O)[nH]cn1
Show InChI InChI=1S/C23H20ClN5O/c1-29-21(16-5-3-15(4-6-16)19-13-20(30)26-14-25-19)27-28-22(29)23(11-2-12-23)17-7-9-18(24)10-8-17/h3-10,13-14H,2,11-12H2,1H3,(H,25,26,30)
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n/an/a 2.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340802
PNG
(2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cnccn1
Show InChI InChI=1S/C23H19ClFN5/c1-30-21(18-8-3-15(13-19(18)25)20-14-26-11-12-27-20)28-29-22(30)23(9-2-10-23)16-4-6-17(24)7-5-16/h3-8,11-14H,2,9-10H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340796
PNG
(CHEMBL1760687 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2ccno2)cc1
Show InChI InChI=1S/C23H20ClN5O2/c1-29-20(15-3-9-18(10-4-15)26-21(30)19-11-14-25-31-19)27-28-22(29)23(12-2-13-23)16-5-7-17(24)8-6-16/h3-11,14H,2,12-13H2,1H3,(H,26,30)
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n/an/a 2.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340814
PNG
(5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnc(=O)[nH]c1
Show InChI InChI=1S/C23H20ClN5O/c1-29-20(16-5-3-15(4-6-16)17-13-25-22(30)26-14-17)27-28-21(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-14H,2,11-12H2,1H3,(H,25,26,30)
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n/an/a 2.90n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340823
PNG
(CHEMBL1760674 | N-tert-butyl-4-(5-(1-(4-chlorophen...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C24H27ClN4O/c1-23(2,3)26-21(30)17-8-6-16(7-9-17)20-27-28-22(29(20)4)24(14-5-15-24)18-10-12-19(25)13-11-18/h6-13H,5,14-15H2,1-4H3,(H,26,30)
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n/an/a 3n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340821
PNG
(4-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN4O/c1-15-21(16(2)30-28-15)17-5-7-18(8-6-17)22-26-27-23(29(22)3)24(13-4-14-24)19-9-11-20(25)12-10-19/h5-12H,4,13-14H2,1-3H3
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n/an/a 3.40n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340803
PNG
(2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1OC(F)F)-c1cnccn1
Show InChI InChI=1S/C24H20ClF2N5O/c1-32-21(30-31-22(32)24(9-2-10-24)16-4-6-17(25)7-5-16)18-8-3-15(13-20(18)33-23(26)27)19-14-28-11-12-29-19/h3-8,11-14,23H,2,9-10H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50260797
PNG
(3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 by SPA-based assay

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50260797
PNG
(3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340820
PNG
(4-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnoc1
Show InChI InChI=1S/C22H19ClN4O/c1-27-20(16-5-3-15(4-6-16)17-13-24-28-14-17)25-26-21(27)22(11-2-12-22)18-7-9-19(23)10-8-18/h3-10,13-14H,2,11-12H2,1H3
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n/an/a 4.10n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340821
PNG
(4-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN4O/c1-15-21(16(2)30-28-15)17-5-7-18(8-6-17)22-26-27-23(29(22)3)24(13-4-14-24)19-9-11-20(25)12-10-19/h5-12H,4,13-14H2,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340819
PNG
(6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(N)nn1
Show InChI InChI=1S/C23H21ClN6/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3,(H2,25,27)
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n/an/a 4.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340831
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)-3-fluorocyclo...)
Show SMILES Cn1c(nnc1C1(CC(F)C1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cnccn1
Show InChI InChI=1S/C23H18Cl2FN5/c1-31-21(18-7-2-14(10-19(18)25)20-13-27-8-9-28-20)29-30-22(31)23(11-17(26)12-23)15-3-5-16(24)6-4-15/h2-10,13,17H,11-12H2,1H3
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n/an/a 5.5n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340792
PNG
(CHEMBL1760683 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O/c1-14(27)23-18-10-4-15(5-11-18)19-24-25-20(26(19)2)21(12-3-13-21)16-6-8-17(22)9-7-16/h4-11H,3,12-13H2,1-2H3,(H,23,27)
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n/an/a 5.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340797
PNG
(3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccon1
Show InChI InChI=1S/C22H19ClN4O/c1-27-20(16-5-3-15(4-6-16)19-11-14-28-26-19)24-25-21(27)22(12-2-13-22)17-7-9-18(23)10-8-17/h3-11,14H,2,12-13H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340825
PNG
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)NC1CCC1
Show InChI InChI=1S/C24H25ClN4O/c1-29-21(16-6-8-17(9-7-16)22(30)26-20-4-2-5-20)27-28-23(29)24(14-3-15-24)18-10-12-19(25)13-11-18/h6-13,20H,2-5,14-15H2,1H3,(H,26,30)
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n/an/a 6.60n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340809
PNG
(3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]tri...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9|
Show InChI InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
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n/an/a 7.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50340822
PNG
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES CCNC(=O)c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O/c1-3-24-20(28)16-7-5-15(6-8-16)19-25-26-21(27(19)2)22(13-4-14-22)17-9-11-18(23)12-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,24,28)
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n/an/a 7.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340796
PNG
(CHEMBL1760687 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2ccno2)cc1
Show InChI InChI=1S/C23H20ClN5O2/c1-29-20(15-3-9-18(10-4-15)26-21(30)19-11-14-25-31-19)27-28-22(29)23(12-2-13-23)16-5-7-17(24)8-6-16/h3-11,14H,2,12-13H2,1H3,(H,26,30)
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n/an/a 8n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340794
PNG
(CHEMBL1760685 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H21ClN4OS/c1-29-21(16-5-11-19(12-6-16)26-22(30)20-4-2-15-31-20)27-28-23(29)24(13-3-14-24)17-7-9-18(25)10-8-17/h2,4-12,15H,3,13-14H2,1H3,(H,26,30)
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n/an/a 8.70n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50340817
PNG
(6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cc(=O)[nH]cn1
Show InChI InChI=1S/C23H20ClN5O/c1-29-21(16-5-3-15(4-6-16)19-13-20(30)26-14-25-19)27-28-22(29)23(11-2-12-23)17-7-9-18(24)10-8-17/h3-10,13-14H,2,11-12H2,1H3,(H,25,26,30)
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n/an/a 8.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting

Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 218 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%