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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50038527   
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))
BDBM50377747
PNG
(CHEMBL258388)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H11F6N3/c1-26-14(10-6-2-4-8-12(10)16(18,19)20)24-25-15(26)11-7-3-5-9-13(11)17(21,22)23/h2-9H,1H3
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n/an/a 0.980n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377735
PNG
(CHEMBL257779)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377736
PNG
(CHEMBL403898)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H15ClN4/c1-22-11-10-12-13(7-5-9-16(12)22)17-20-21-18(23(17)2)14-6-3-4-8-15(14)19/h3-11H,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377756
PNG
(CHEMBL256298)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1Br
Show InChI InChI=1S/C16H11BrF3N3/c1-23-14(10-6-2-4-8-12(10)16(18,19)20)21-22-15(23)11-7-3-5-9-13(11)17/h2-9H,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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377736
PNG
(CHEMBL403898)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H15ClN4/c1-22-11-10-12-13(7-5-9-16(12)22)17-20-21-18(23(17)2)14-6-3-4-8-15(14)19/h3-11H,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377746
PNG
(CHEMBL403811)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H10Cl2F3N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,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 human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377735
PNG
(CHEMBL257779)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377712
PNG
(CHEMBL401909)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F6N3O/c1-26-14(10-6-2-4-8-12(10)16(18,19)20)24-25-15(26)11-7-3-5-9-13(11)27-17(21,22)23/h2-9H,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 human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377730
PNG
(CHEMBL257601)
Show SMILES CNc1c(ccc2ccccc12)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H17F3N4/c1-25-18-14-8-4-3-7-13(14)11-12-16(18)20-27-26-19(28(20)2)15-9-5-6-10-17(15)21(22,23)24/h3-12,25H,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377724
PNG
(CHEMBL401883)
Show SMILES COc1c(ccc2ccc(Cl)cc12)-c1nnc(-c2ccccc2S(C)(=O)=O)n1C
Show InChI InChI=1S/C21H18ClN3O3S/c1-25-20(15-6-4-5-7-18(15)29(3,26)27)23-24-21(25)16-11-9-13-8-10-14(22)12-17(13)19(16)28-2/h4-12H,1-3H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377724
PNG
(CHEMBL401883)
Show SMILES COc1c(ccc2ccc(Cl)cc12)-c1nnc(-c2ccccc2S(C)(=O)=O)n1C
Show InChI InChI=1S/C21H18ClN3O3S/c1-25-20(15-6-4-5-7-18(15)29(3,26)27)23-24-21(25)16-11-9-13-8-10-14(22)12-17(13)19(16)28-2/h4-12H,1-3H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377750
PNG
(CHEMBL401908)
Show SMILES Cn1c(nnc1-c1ccccc1Br)-c1ccccc1Cl
Show InChI InChI=1S/C15H11BrClN3/c1-20-14(10-6-2-4-8-12(10)16)18-19-15(20)11-7-3-5-9-13(11)17/h2-9H,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377725
PNG
(CHEMBL401884)
Show SMILES COc1c(cc(Cl)c2ccccc12)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H15ClF3N3O/c1-28-19(14-9-5-6-10-16(14)21(23,24)25)26-27-20(28)15-11-17(22)12-7-3-4-8-13(12)18(15)29-2/h3-11H,1-2H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377730
PNG
(CHEMBL257601)
Show SMILES CNc1c(ccc2ccccc12)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H17F3N4/c1-25-18-14-8-4-3-7-13(14)11-12-16(18)20-27-26-19(28(20)2)15-9-5-6-10-17(15)21(22,23)24/h3-12,25H,1-2H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377725
PNG
(CHEMBL401884)
Show SMILES COc1c(cc(Cl)c2ccccc12)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H15ClF3N3O/c1-28-19(14-9-5-6-10-16(14)21(23,24)25)26-27-20(28)15-11-17(22)12-7-3-4-8-13(12)18(15)29-2/h3-11H,1-2H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377757
PNG
(CHEMBL256986)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C16H10ClF4N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(18)8-13(11)17/h2-8H,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 human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377728
PNG
(CHEMBL401975)
Show SMILES COc1c(cc2ccccc2c1Cl)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H15ClF3N3O/c1-28-19(14-9-5-6-10-16(14)21(23,24)25)26-27-20(28)15-11-12-7-3-4-8-13(12)17(22)18(15)29-2/h3-11H,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377732
PNG
(CHEMBL257752)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C20H13F4N3/c1-27-18(14-8-4-5-9-16(14)20(22,23)24)25-26-19(27)15-11-10-12-6-2-3-7-13(12)17(15)21/h2-11H,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 mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377722
PNG
(CHEMBL401988)
Show SMILES CCCCCc1ccc(cc1)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H22F3N3/c1-3-4-5-8-15-11-13-16(14-12-15)19-25-26-20(27(19)2)17-9-6-7-10-18(17)21(22,23)24/h6-7,9-14H,3-5,8H2,1-2H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377749
PNG
(CHEMBL258389)
Show SMILES Cn1c(nnc1-c1ccccc1Cl)-c1ccccc1Cl
Show InChI InChI=1S/C15H11Cl2N3/c1-20-14(10-6-2-4-8-12(10)16)18-19-15(20)11-7-3-5-9-13(11)17/h2-9H,1H3
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n/an/a 2.90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377726
PNG
(CHEMBL257129)
Show SMILES Cn1c(nnc1-c1cc2ccccc2cc1Cl)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H13ClF3N3/c1-27-18(14-8-4-5-9-16(14)20(22,23)24)25-26-19(27)15-10-12-6-2-3-7-13(12)11-17(15)21/h2-11H,1H3
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n/an/a 2.90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377751
PNG
(CHEMBL256158)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C16H11ClF3N3/c1-23-14(10-6-2-4-8-12(10)16(18,19)20)21-22-15(23)11-7-3-5-9-13(11)17/h2-9H,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377745
PNG
(CHEMBL402737)
Show SMILES Cn1c(nnc1-c1cccc(c1C(F)(F)F)C(F)(F)F)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H10F9N3/c1-30-14(9-5-2-3-7-11(9)16(19,20)21)28-29-15(30)10-6-4-8-12(17(22,23)24)13(10)18(25,26)27/h2-8H,1H3
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n/an/a 3.60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377737
PNG
(CHEMBL257963)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16N4O/c1-21-11-10-14-15(4-3-5-16(14)21)18-20-19-17(22(18)2)12-6-8-13(23)9-7-12/h3-11,23H,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377732
PNG
(CHEMBL257752)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc2ccccc2c1F
Show InChI InChI=1S/C20H13F4N3/c1-27-18(14-8-4-5-9-16(14)20(22,23)24)25-26-19(27)15-11-10-12-6-2-3-7-13(12)17(15)21/h2-11H,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377712
PNG
(CHEMBL401909)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F6N3O/c1-26-14(10-6-2-4-8-12(10)16(18,19)20)24-25-15(26)11-7-3-5-9-13(11)27-17(21,22)23/h2-9H,1H3
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n/an/a 4.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377723
PNG
(CHEMBL401830)
Show SMILES Cc1ccc2ccccc2c1-c1nnc(-c2ccccc2C(F)(F)F)n1C |(-7.03,-10.86,;-8.23,-9.89,;-9.66,-10.44,;-10.86,-9.47,;-10.61,-7.95,;-11.8,-6.99,;-11.57,-5.48,;-10.13,-4.92,;-8.94,-5.89,;-9.18,-7.4,;-7.98,-8.37,;-6.55,-7.83,;-6.14,-6.35,;-4.61,-6.27,;-4.06,-7.71,;-2.57,-8.11,;-2.18,-9.61,;-.7,-10.01,;.4,-8.92,;0,-7.43,;-1.48,-7.03,;-1.88,-5.54,;-2.29,-4.04,;-.39,-5.14,;-3.37,-5.95,;-5.26,-8.68,;-5.19,-10.22,)|
Show InChI InChI=1S/C21H16F3N3/c1-13-11-12-14-7-3-4-8-15(14)18(13)20-26-25-19(27(20)2)16-9-5-6-10-17(16)21(22,23)24/h3-12H,1-2H3
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n/an/a 4.60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377722
PNG
(CHEMBL401988)
Show SMILES CCCCCc1ccc(cc1)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H22F3N3/c1-3-4-5-8-15-11-13-16(14-12-15)19-25-26-20(27(19)2)17-9-6-7-10-18(17)21(22,23)24/h6-7,9-14H,3-5,8H2,1-2H3
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n/an/a 5.20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377755
PNG
(CHEMBL404638)
Show SMILES Cn1c(nnc1-c1ccc(F)cc1Cl)-c1ccccc1Cl
Show InChI InChI=1S/C15H10Cl2FN3/c1-21-14(10-4-2-3-5-12(10)16)19-20-15(21)11-7-6-9(18)8-13(11)17/h2-8H,1H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377716
PNG
(CHEMBL404743)
Show SMILES CCS(=O)(=O)CCc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)n2C)c(C)c1
Show InChI InChI=1S/C21H22F3N3O2S/c1-4-30(28,29)12-11-15-9-10-16(14(2)13-15)19-25-26-20(27(19)3)17-7-5-6-8-18(17)21(22,23)24/h5-10,13H,4,11-12H2,1-3H3
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n/an/a 6.40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377737
PNG
(CHEMBL257963)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16N4O/c1-21-11-10-14-15(4-3-5-16(14)21)18-20-19-17(22(18)2)12-6-8-13(23)9-7-12/h3-11,23H,1-2H3
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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


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377747
PNG
(CHEMBL258388)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H11F6N3/c1-26-14(10-6-2-4-8-12(10)16(18,19)20)24-25-15(26)11-7-3-5-9-13(11)17(21,22)23/h2-9H,1H3
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n/an/a 7.10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377721
PNG
(CHEMBL428951)
Show SMILES CCCCCc1ccc(cc1)-c1nnc(-c2ccccc2Cl)n1C
Show InChI InChI=1S/C20H22ClN3/c1-3-4-5-8-15-11-13-16(14-12-15)19-22-23-20(24(19)2)17-9-6-7-10-18(17)21/h6-7,9-14H,3-5,8H2,1-2H3
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n/an/a 7.70n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377756
PNG
(CHEMBL256298)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1Br
Show InChI InChI=1S/C16H11BrF3N3/c1-23-14(10-6-2-4-8-12(10)16(18,19)20)21-22-15(23)11-7-3-5-9-13(11)17/h2-9H,1H3
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n/an/a 8n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377714
PNG
(CHEMBL254993)
Show SMILES CCS(=O)(=O)CCCc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)n2C)c(Cl)c1
Show InChI InChI=1S/C21H21ClF3N3O2S/c1-3-31(29,30)12-6-7-14-10-11-16(18(22)13-14)20-27-26-19(28(20)2)15-8-4-5-9-17(15)21(23,24)25/h4-5,8-11,13H,3,6-7,12H2,1-2H3
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n/an/a 8.40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377751
PNG
(CHEMBL256158)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C16H11ClF3N3/c1-23-14(10-6-2-4-8-12(10)16(18,19)20)21-22-15(23)11-7-3-5-9-13(11)17/h2-9H,1H3
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n/an/a 8.60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377729
PNG
(CHEMBL403758)
Show SMILES Cc1ccc2ccc(cc2c1)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H16F3N3/c1-13-7-8-14-9-10-15(12-16(14)11-13)19-25-26-20(27(19)2)17-5-3-4-6-18(17)21(22,23)24/h3-12H,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377726
PNG
(CHEMBL257129)
Show SMILES Cn1c(nnc1-c1cc2ccccc2cc1Cl)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H13ClF3N3/c1-27-18(14-8-4-5-9-16(14)20(22,23)24)25-26-19(27)15-10-12-6-2-3-7-13(12)11-17(15)21/h2-11H,1H3
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n/an/a 9.80n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377721
PNG
(CHEMBL428951)
Show SMILES CCCCCc1ccc(cc1)-c1nnc(-c2ccccc2Cl)n1C
Show InChI InChI=1S/C20H22ClN3/c1-3-4-5-8-15-11-13-16(14-12-15)19-22-23-20(24(19)2)17-9-6-7-10-18(17)21/h6-7,9-14H,3-5,8H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377729
PNG
(CHEMBL403758)
Show SMILES Cc1ccc2ccc(cc2c1)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H16F3N3/c1-13-7-8-14-9-10-15(12-16(14)11-13)19-25-26-20(27(19)2)17-5-3-4-6-18(17)21(22,23)24/h3-12H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377715
PNG
(CHEMBL254790)
Show SMILES CCS(=O)(=O)CCCc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)n2C)c(C)c1
Show InChI InChI=1S/C22H24F3N3O2S/c1-4-31(29,30)13-7-8-16-11-12-17(15(2)14-16)20-26-27-21(28(20)3)18-9-5-6-10-19(18)22(23,24)25/h5-6,9-12,14H,4,7-8,13H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377746
PNG
(CHEMBL403811)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H10Cl2F3N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,1H3
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n/an/a 11n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377734
PNG
(CHEMBL257985)
Show SMILES Cn1ccc2c(cccc12)-c1nnc(-c2ccccc2)n1C
Show InChI InChI=1S/C18H16N4/c1-21-12-11-14-15(9-6-10-16(14)21)18-20-19-17(22(18)2)13-7-4-3-5-8-13/h3-12H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377750
PNG
(CHEMBL401908)
Show SMILES Cn1c(nnc1-c1ccccc1Br)-c1ccccc1Cl
Show InChI InChI=1S/C15H11BrClN3/c1-20-14(10-6-2-4-8-12(10)16)18-19-15(20)11-7-3-5-9-13(11)17/h2-9H,1H3
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n/an/a 12n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377713
PNG
(CHEMBL258165)
Show SMILES Cn1c(nnc1-c1ccccc1[N+]([O-])=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H10Cl2N4O2/c1-20-14(10-7-6-9(16)8-12(10)17)18-19-15(20)11-4-2-3-5-13(11)21(22)23/h2-8H,1H3
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n/an/a 13n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377744
PNG
(CHEMBL403944)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C16H10ClF4N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,1H3
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n/an/a 15n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377731
PNG
(CHEMBL403369)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H14F3N3/c1-26-18(15-11-10-13-6-2-3-7-14(13)12-15)24-25-19(26)16-8-4-5-9-17(16)20(21,22)23/h2-12H,1H3
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n/an/a 15n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377727
PNG
(CHEMBL402302)
Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccc2ccc(Cl)cc2c1O
Show InChI InChI=1S/C20H13ClF3N3O/c1-27-18(13-4-2-3-5-16(13)20(22,23)24)25-26-19(27)14-9-7-11-6-8-12(21)10-15(11)17(14)28/h2-10,28H,1H3
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n/an/a 19n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377728
PNG
(CHEMBL401975)
Show SMILES COc1c(cc2ccccc2c1Cl)-c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H15ClF3N3O/c1-28-19(14-9-5-6-10-16(14)21(23,24)25)26-27-20(28)15-11-12-7-3-4-8-13(12)17(22)18(15)29-2/h3-11H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50377743
PNG
(CHEMBL257364)
Show SMILES Cn1c(nnc1-c1ccc(Cl)cc1Cl)-c1ccccc1F
Show InChI InChI=1S/C15H10Cl2FN3/c1-21-14(10-7-6-9(16)8-12(10)17)19-20-15(21)11-4-2-3-5-13(11)18/h2-8H,1H3
PDB
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n/an/a 20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
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